SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[S:12][C:13]([C:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([N:20]([C:21](=[O:22])[C@:23]([O:24][H:73])([C:25]([C:26]([H:74])([H:75])[H:76])([C:27]([H:77])([H:78])[H:79])[C:28]([O:29][P:30](=[O:31])([O:32][H:80])[O:33][P:34](=[O:35])([O:36][H:81])[O:37][C:38]([C@@:39]1([H:82])[O:40][C@:41]([N:42]2:[C:43]([H:83]):[N:44]:[C:45]3:[C:46]([N:47]([H:84])[H:85]):[N:48]:[C:49]([H:86]):[N:50]:[C:51]:2:3)([H:87])[C@@:52]([O:53][H:88])([H:89])[C@@:54]1([O:55][P:56](=[O:57])([O:58][H:90])[O:59][H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])([H:125])[H:126]>>[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])O[C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:124])([H:125])[H:126])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])=[O:11].[H][S:12][C:13]([C:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([N:20]([C:21](=[O:22])[C@:23]([O:24][H:73])([C:25]([C:26]([H:74])([H:75])[H:76])([C:27]([H:77])([H:78])[H:79])[C:28]([O:29][P:30](=[O:31])([O:32][H:80])[O:33][P:34](=[O:35])([O:36][H:81])[O:37][C:38]([C@@:39]1([H:82])[O:40][C@:41]([N:42]2:[C:43]([H:83]):[N:44]:[C:45]3:[C:46]([N:47]([H:84])[H:85]):[N:48]:[C:49]([H:86]):[N:50]:[C:51]:2:3)([H:87])[C@@:52]([O:53][H:88])([H:89])[C@@:54]1([O:55][P:56](=[O:57])([O:58][H:90])[O:59][H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102])[H:103])([H:104])[H:105])([H:106])[H:107]
Derived Operators
EVODEX.1-F337 - Elemental Balance
| O | 1 |
| C | 12 |
| H | 26 |
EVODEX.1-M346 - Mass Difference
186.19848
EVODEX.1-E1124 - Reaction Operator E
[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5]>>[#6:1]-[#6:2](=[#8:3])-[#8]-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].[#16:4](-[#6:5])-[H]
EVODEX.1-C339 - Reaction Operator C
[#6:18]-[#16:20]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:18].[H]-[#16:20]
EVODEX.1-N392 - Reaction Operator N
[#6:17]-[#6:18](=[#8:19])-[#16:20]-[#6:21]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:18](-[#6:17])=[#8:19].[H]-[#16:20]-[#6:21]
EVODEX.1-Em6 - Reaction Operator Em
[#6:36]-[#6:37](=[#8:38])-[#16:39]-[#6:40]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38].[H]-[#16:39]-[#6:40]
EVODEX.1-Nm7 - Reaction Operator Nm
[#6:36]-[#6:37](=[#8:38])-[#16:39]-[#6:40]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38].[H]-[#16:39]-[#6:40]
Source Full Reactions
EVODEX.1-R2586
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[S:12][C:13]([C:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([N:20]([C:21](=[O:22])[C@:23]([O:24][H:73])([C:25]([C:26]([H:74])([H:75])[H:76])([C:27]([H:77])([H:78])[H:79])[C:28]([O:29][P:30](=[O:31])([O:32][H:80])[O:33][P:34](=[O:35])([O:36][H:81])[O:37][C:38]([C@@:39]1([H:82])[O:40][C@:41]([N:42]2:[C:43]([H:83]):[N:44]:[C:45]3:[C:46]([N:47]([H:84])[H:85]):[N:48]:[C:49]([H:86]):[N:50]:[C:51]:2:3)([H:87])[C@@:52]([O:53][H:88])([H:89])[C@@:54]1([O:55][P:56](=[O:57])([O:58][H:90])[O:59][H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])([H:125])[H:126].[H][O:72][C:71]([C:70]([C:69]([C:68]([C:67]([C:66]([C:65]([C:64]([C:63]([C:62]([C:61]([C:60]([H:150])([H:151])[H:152])([H:148])[H:149])([H:146])[H:147])([H:144])[H:145])([H:142])[H:143])([H:140])[H:141])([H:138])[H:139])([H:136])[H:137])([H:134])[H:135])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[O:72][C:71]([C:70]([C:69]([C:68]([C:67]([C:66]([C:65]([C:64]([C:63]([C:62]([C:61]([C:60]([H:150])([H:151])[H:152])([H:148])[H:149])([H:146])[H:147])([H:144])[H:145])([H:142])[H:143])([H:140])[H:141])([H:138])[H:139])([H:136])[H:137])([H:134])[H:135])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])([H:125])[H:126].[H][S:12][C:13]([C:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([N:20]([C:21](=[O:22])[C@:23]([O:24][H:73])([C:25]([C:26]([H:74])([H:75])[H:76])([C:27]([H:77])([H:78])[H:79])[C:28]([O:29][P:30](=[O:31])([O:32][H:80])[O:33][P:34](=[O:35])([O:36][H:81])[O:37][C:38]([C@@:39]1([H:82])[O:40][C@:41]([N:42]2:[C:43]([H:83]):[N:44]:[C:45]3:[C:46]([N:47]([H:84])[H:85]):[N:48]:[C:49]([H:86]):[N:50]:[C:51]:2:3)([H:87])[C@@:52]([O:53][H:88])([H:89])[C@@:54]1([O:55][P:56](=[O:57])([O:58][H:90])[O:59][H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102])[H:103])([H:104])[H:105])([H:106])[H:107]