SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[S:14][C:15]([C:16]([N:17]([C:18](=[O:19])[C:20]([C:21]([N:22]([C:23](=[O:24])[C@:25]([O:26][H:73])([C:27]([C:28]([H:74])([H:75])[H:76])([C:29]([H:77])([H:78])[H:79])[C:30]([O:31][P:32](=[O:33])([O:34][H:80])[O:35][P:36](=[O:37])([O:38][H:81])[O:39][C:40]([C@@:41]1([H:82])[O:42][C@:43]([N:44]2:[C:45]([H:83]):[N:46]:[C:47]3:[C:48]([N:49]([H:84])[H:85]):[N:50]:[C:51]([H:86]):[N:52]:[C:53]:2:3)([H:87])[C@@:54]([O:55][H:88])([H:89])[C@@:56]1([O:57][P:58](=[O:59])([O:60][H:90])[O:61][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:127])([H:128])([H:129])[H:130]>>[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:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:128])([H:129])[H:130])([H:126])[H:127])([H:124])[H:125])([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:13].[H][S:14][C:15]([C:16]([N:17]([C:18](=[O:19])[C:20]([C:21]([N:22]([C:23](=[O:24])[C@:25]([O:26][H:73])([C:27]([C:28]([H:74])([H:75])[H:76])([C:29]([H:77])([H:78])[H:79])[C:30]([O:31][P:32](=[O:33])([O:34][H:80])[O:35][P:36](=[O:37])([O:38][H:81])[O:39][C:40]([C@@:41]1([H:82])[O:42][C@:43]([N:44]2:[C:45]([H:83]):[N:46]:[C:47]3:[C:48]([N:49]([H:84])[H:85]):[N:50]:[C:51]([H:86]):[N:52]:[C:53]:2:3)([H:87])[C@@:54]([O:55][H:88])([H:89])[C@@:56]1([O:57][P:58](=[O:59])([O:60][H:90])[O:61][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-F187 - Elemental Balance
| O | 1 |
| C | 10 |
| H | 22 |
EVODEX.1-M271 - Mass Difference
158.16716
EVODEX.1-E883 - Reaction Operator E
[#6:17]-[#6:18](=[#8:19])-[#16:20]-[#6:21]>>[#6:17]-[#6:18](=[#8:19])-[#8]-[#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].[#16:20](-[#6:21])-[H]
EVODEX.1-C334 - Reaction Operator C
[#6:12]-[#16:14]>>[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]-[#6:12].[H]-[#16:14]
EVODEX.1-N387 - Reaction Operator N
[#6:11]-[#6:12](=[#8:13])-[#16:14]-[#6:15]>>[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]-[#6:12](-[#6:11])=[#8:13].[H]-[#16:14]-[#6:15]
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-R2616
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[S:14][C:15]([C:16]([N:17]([C:18](=[O:19])[C:20]([C:21]([N:22]([C:23](=[O:24])[C@:25]([O:26][H:73])([C:27]([C:28]([H:74])([H:75])[H:76])([C:29]([H:77])([H:78])[H:79])[C:30]([O:31][P:32](=[O:33])([O:34][H:80])[O:35][P:36](=[O:37])([O:38][H:81])[O:39][C:40]([C@@:41]1([H:82])[O:42][C@:43]([N:44]2:[C:45]([H:83]):[N:46]:[C:47]3:[C:48]([N:49]([H:84])[H:85]):[N:50]:[C:51]([H:86]):[N:52]:[C:53]:2:3)([H:87])[C@@:54]([O:55][H:88])([H:89])[C@@:56]1([O:57][P:58](=[O:59])([O:60][H:90])[O:61][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:127])([H:128])([H:129])[H:130].[H][O:72][C:71]([C:70]([C:69]([C:68]([C:67]([C:66]([C:65]([C:64]([C:63]([C:62]([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]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:72][C:71]([C:70]([C:69]([C:68]([C:67]([C:66]([C:65]([C:64]([C:63]([C:62]([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: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:127])([H:128])([H:129])[H:130].[H][S:14][C:15]([C:16]([N:17]([C:18](=[O:19])[C:20]([C:21]([N:22]([C:23](=[O:24])[C@:25]([O:26][H:73])([C:27]([C:28]([H:74])([H:75])[H:76])([C:29]([H:77])([H:78])[H:79])[C:30]([O:31][P:32](=[O:33])([O:34][H:80])[O:35][P:36](=[O:37])([O:38][H:81])[O:39][C:40]([C@@:41]1([H:82])[O:42][C@:43]([N:44]2:[C:45]([H:83]):[N:46]:[C:47]3:[C:48]([N:49]([H:84])[H:85]):[N:50]:[C:51]([H:86]):[N:52]:[C:53]:2:3)([H:87])[C@@:54]([O:55][H:88])([H:89])[C@@:56]1([O:57][P:58](=[O:59])([O:60][H:90])[O:61][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]