SMIRKS
[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])S[C:8](=[O:9])[C:10]1:[C:11]([H:74]):[C:12]([H:75]):[C:13]([H:76]):[C:14]([H:77]):[C:15]:1[H:78]>>[H]O[C@]1(C([H])([H])O[C:8](=[O:9])[C:10]2:[C:11]([H:74]):[C:12]([H:75]):[C:13]([H:76]):[C:14]([H:77]):[C:15]:2[H:78])[C@@]([H])(N([H])C2:C([H]):C([H]):C([H]):C(C(=O)C([H])([H])[H]):C:2[H])[C@]([H])(N([H])[H])[C@@](N([H])C(=O)N(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])[C@]1(O[H])C([H])([H])[H]
Derived Operators
EVODEX.1-F334 - Elemental Balance
| O | 4 |
| C | 15 |
| S | -1 |
| N | 3 |
| H | 21 |
EVODEX.1-M343 - Mass Difference
275.18122999999997
EVODEX.1-E1121 - Reaction Operator E
[#6:30]-[#6:31](=[#8:32])-[#16]-[#6](-[#6](-[#7](-[#6](-[#6](-[H])(-[H])-[H])=[#8])-[H])(-[H])-[H])(-[H])-[H]>>[#6](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[#7](-[#6@@]2(-[H])-[#6@@](-[#7](-[H])-[H])(-[H])-[#6@](-[#6](-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#7](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[H])-[#6@@](-[#6](-[H])(-[H])-[H])(-[#8]-[H])-[#6@@]-2(-[#8]-[H])-[#6](-[#8]-[#6:31](-[#6:30])=[#8:32])(-[H])-[H])-[H]):[#6]:1-[H])(-[H])(-[H])-[H]
EVODEX.1-C307 - Reaction Operator C
[H]-[#7](-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:31]>>[H]-[#8]-[#6@]1(-[#6](-[H])(-[H])-[#8]-[#6:31])-[#6@@](-[H])(-[#7](-[H])-[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[#6](=[#8])-[#6](-[H])(-[H])-[H]):[#6]:2-[H])-[#6@](-[H])(-[#7](-[H])-[H])-[#6@@](-[#7](-[H])-[#6](=[#8])-[#7](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@]-1(-[#8]-[H])-[#6](-[H])(-[H])-[H]
EVODEX.1-N353 - Reaction Operator N
[H]-[#7](-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:31](-[#6:30])=[#8:32]>>[H]-[#8]-[#6@]1(-[#6](-[H])(-[H])-[#8]-[#6:31](-[#6:30])=[#8:32])-[#6@@](-[H])(-[#7](-[H])-[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[#6](=[#8])-[#6](-[H])(-[H])-[H]):[#6]:2-[H])-[#6@](-[H])(-[#7](-[H])-[H])-[#6@@](-[#7](-[H])-[#6](=[#8])-[#7](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@]-1(-[#8]-[H])-[#6](-[H])(-[H])-[H]
EVODEX.1-Em7 - Reaction Operator Em
[#6]-[#16]-[#6:37](-[#6:36])=[#8:38]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38]
EVODEX.1-Nm8 - Reaction Operator Nm
[#6]-[#16]-[#6:37](-[#6:36])=[#8:38]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38]
Source Full Reactions
EVODEX.1-R2159
[H][O:42][C:41]([C@@:39]1([O:40][H:65])[C@:25]([N:24]([C:23]2:[C:22]([H:46]):[C:21]([H:45]):[C:20]([H:44]):[C:19]([C:17]([C:16]([H:71])([H:72])[H:73])=[O:18]):[C:43]:2[H:70])[H:69])([H:47])[C@@:26]([N:27]([H:48])[H:49])([H:50])[C@:28]([C:29]([H:51])([H:52])[H:53])([N:30]([C:31](=[O:32])[N:33]([C:34]([H:54])([H:55])[H:56])[C:35]([H:57])([H:58])[H:59])[H:60])[C@@:36]1([C:37]([H:61])([H:62])[H:63])[O:38][H:64])([H:67])[H:68].[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([S:7][C:8](=[O:9])[C:10]1:[C:11]([H:74]):[C:12]([H:75]):[C:13]([H:76]):[C:14]([H:77]):[C:15]:1[H:78])([H:79])[H:80])([H:81])[H:82])[H:83])([H:84])([H:85])[H:86]>>[C:8](=[O:9])([C:10]1:[C:11]([H:74]):[C:12]([H:75]):[C:13]([H:76]):[C:14]([H:77]):[C:15]:1[H:78])[O:42][C:41]([C@@:39]1([O:40][H:65])[C@:25]([N:24]([C:23]2:[C:22]([H:46]):[C:21]([H:45]):[C:20]([H:44]):[C:19]([C:17]([C:16]([H:71])([H:72])[H:73])=[O:18]):[C:43]:2[H:70])[H:69])([H:47])[C@@:26]([N:27]([H:48])[H:49])([H:50])[C@:28]([C:29]([H:51])([H:52])[H:53])([N:30]([C:31](=[O:32])[N:33]([C:34]([H:54])([H:55])[H:56])[C:35]([H:57])([H:58])[H:59])[H:60])[C@@:36]1([C:37]([H:61])([H:62])[H:63])[O:38][H:64])([H:67])[H:68].[H][S:7][C:6]([C:5]([N:4]([C:2]([C:1]([H:84])([H:85])[H:86])=[O:3])[H:83])([H:81])[H:82])([H:79])[H:80]