SMIRKS
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:76])([H:77])[H:78])([H:74])[H:75])([H:72])[H:73])([C:38](=[O:39])[O:40][H:70])[H:71])[H:69])N([H])C(=O)[C@@]([H])(N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:76])([H:77])[H:78])([H:74])[H:75])([H:72])[H:73])([C:38](=[O:39])[O:40][H:70])[H:71])[H:69]
Derived Operators
EVODEX.1-F504 - Elemental Balance
| O | -3 |
| C | -22 |
| N | -6 |
| H | -26 |
EVODEX.1-M477 - Mass Difference
-422.20688
EVODEX.1-E1322 - Reaction Operator E
[#7](=[#6](-[#7](-[H])-[H])-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])-[H])-[H])-[H])(-[#6](=[#8])-[#7:32](-[#6@@:33])-[H:107])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H]>>[#7:32](-[#6@@:33])(-[H:107])-[H]
EVODEX.1-C623 - Reaction Operator C
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:21])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:21]
EVODEX.1-N778 - Reaction Operator N
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:21](-[#6@:18])-[H:107])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:21](-[#6@:18])-[H:107]
Source Full Reactions
EVODEX.1-R5732
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([N:13]([C:14](=[N:15][H:42])[N:16]([H:43])[H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22]1:[C:23]([H:52]):[C:24]([H:53]):[C:25]([H:54]):[C:26]([H:55]):[C:27]:1[H:56])([H:57])[H:58])([N:28]([C:29](=[O:30])[C:31]1:[C:32]([H:59]):[C:33]([H:60]):[C:34]([H:61]):[C:35]([H:62]):[C:36]:1[N:37]([H:63])[H:64])[H:65])[H:66])[H:67])[H:68])[H:69])([C:38](=[O:39])[O:40][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])([H:77])[H:78].[H][O:41][H:79]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]([C:12]([N:13]([C:14](=[N:15][H:42])[N:16]([H:43])[H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([N:17]([C:18](=[O:19])[C@:20]([C:21]([C:22]1:[C:23]([H:52]):[C:24]([H:53]):[C:25]([H:54]):[C:26]([H:55]):[C:27]:1[H:56])([H:57])[H:58])([N:28]([C:29](=[O:30])[C:31]1:[C:32]([H:59]):[C:33]([H:60]):[C:34]([H:61]):[C:35]([H:62]):[C:36]:1[N:37]([H:63])[H:64])[H:65])[H:66])[H:67])[H:68])[O:41][H:79].[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:76])([H:77])[H:78])([H:74])[H:75])([H:72])[H:73])([C:38](=[O:39])[O:40][H:70])[H:71])[H:69]