SMIRKS
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:30]([C@:28]([C:26]([N:25]([C@:20]([C:18]([N:17]([C@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:136])([H:137])[H:138])([H:134])[H:135])([C:4]([H:67])([H:68])[H:69])[H:133])([C:63](=[O:64])[O:65][H:131])[H:132])[H:130])=[O:8])([C:10]([C:11]1:[C:12]([H:70]):[C:13]([H:71]):[C:14]([H:72]):[C:15]([H:73]):[C:16]:1[H:74])([H:75])[H:76])[H:129])[H:128])=[O:19])([C:21]([C:22]([C:23]([H:77])([H:78])[H:79])([C:24]([H:80])([H:81])[H:82])[H:83])([H:84])[H:85])[H:127])[H:126])=[O:27])([C:29]([H:86])([H:87])[H:88])[H:125])[H:124])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]>>[H][N:30]([C@:28]([C:26]([N:25]([C@:20]([C:18]([N:17]([C@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:136])([H:137])[H:138])([H:134])[H:135])([C:4]([H:67])([H:68])[H:69])[H:133])([C:63](=[O:64])[O:65][H:131])[H:132])[H:130])=[O:8])([C:10]([C:11]1:[C:12]([H:70]):[C:13]([H:71]):[C:14]([H:72]):[C:15]([H:73]):[C:16]:1[H:74])([H:75])[H:76])[H:129])[H:128])=[O:19])([C:21]([C:22]([C:23]([H:77])([H:78])[H:79])([C:24]([H:80])([H:81])[H:82])[H:83])([H:84])[H:85])[H:127])[H:126])=[O:27])([C:29]([H:86])([H:87])[H:88])[H:125])[H:124]
Derived Operators
EVODEX.1-F380 - Elemental Balance
| O | -5 |
| C | -19 |
| N | -8 |
| H | -34 |
EVODEX.1-M380 - Mass Difference
-454.2655199999999
EVODEX.1-E1174 - Reaction Operator E
[#7:28](-[#6@:26])(-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[#7](-[H])-[H])=[#8])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6](-[#7](-[H])-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H:117]>>[#7:28](-[#6@:26])(-[H:117])-[H]
EVODEX.1-C640 - Reaction Operator C
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:30])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]>>[H]-[#7:30]
EVODEX.1-N795 - Reaction Operator N
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:30](-[#6@:28])-[H:124])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]>>[H]-[#7:30](-[#6@:28])-[H:124]
Source Full Reactions
EVODEX.1-R5881
[C:1]([C:2]([C@:3]([C:4]([H:67])([H:68])[H:69])([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:70]):[C:13]([H:71]):[C:14]([H:72]):[C:15]([H:73]):[C:16]:1[H:74])([H:75])[H:76])([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22]([C:23]([H:77])([H:78])[H:79])([C:24]([H:80])([H:81])[H:82])[H:83])([H:84])[H:85])([N:25]([C:26](=[O:27])[C@:28]([C:29]([H:86])([H:87])[H:88])([N:30]([C:31](=[O:32])[C@:33]([C:34]([C:35]([C:36]([N:37]([C:38](=[N:39][H:89])[N:40]([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46]([C:47]([N:48]([H:99])[H:100])=[O:49])([H:101])[H:102])([H:103])[H:104])([N:50]([C:51](=[O:52])[C@:53]([C:54]([C:55]([C:56]([H:105])([H:106])[H:107])([C:57]([H:108])([H:109])[H:110])[H:111])([H:112])[H:113])([N:58]([C:59](=[O:60])[C:61]([N:62]([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])([C:63](=[O:64])[O:65][H:131])[H:132])[H:133])([H:134])[H:135])([H:136])([H:137])[H:138].[H][O:66][H:139]>>[C:31](=[O:32])([C@:33]([C:34]([C:35]([C:36]([N:37]([C:38](=[N:39][H:89])[N:40]([H:90])[H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46]([C:47]([N:48]([H:99])[H:100])=[O:49])([H:101])[H:102])([H:103])[H:104])([N:50]([C:51](=[O:52])[C@:53]([C:54]([C:55]([C:56]([H:105])([H:106])[H:107])([C:57]([H:108])([H:109])[H:110])[H:111])([H:112])[H:113])([N:58]([C:59](=[O:60])[C:61]([N:62]([H:114])[H:115])([H:116])[H:117])[H:118])[H:119])[H:120])[H:121])[H:122])[H:123])[O:66][H:139].[H][N:30]([C@:28]([C:26]([N:25]([C@:20]([C:18]([N:17]([C@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:136])([H:137])[H:138])([H:134])[H:135])([C:4]([H:67])([H:68])[H:69])[H:133])([C:63](=[O:64])[O:65][H:131])[H:132])[H:130])=[O:8])([C:10]([C:11]1:[C:12]([H:70]):[C:13]([H:71]):[C:14]([H:72]):[C:15]([H:73]):[C:16]:1[H:74])([H:75])[H:76])[H:129])[H:128])=[O:19])([C:21]([C:22]([C:23]([H:77])([H:78])[H:79])([C:24]([H:80])([H:81])[H:82])[H:83])([H:84])[H:85])[H:127])[H:126])=[O:27])([C:29]([H:86])([H:87])[H:88])[H:125])[H:124]