SMIRKS
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:32]([C@@:33]([C:34]([S:35][H:58])([H:59])[H:60])([C:36](=[O:37])[O:38][H:61])[H:62])[H:63])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:32]([C@@:33]([C:34]([S:35][H:58])([H:59])[H:60])([C:36](=[O:37])[O:38][H:61])[H:62])[H:63]
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-R5730
[N:1](=[C:2]([N:3]([H:40])[H:41])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C@:12]([C:13]([C:14]1:[C:15]([H:42]):[C:16]([H:43]):[C:17]([H:44]):[C:18]([H:45]):[C:19]:1[H:46])([H:47])[H:48])([N:20]([C:21](=[O:22])[C:23]1:[C:24]([H:49]):[C:25]([H:50]):[C:26]([H:51]):[C:27]([H:52]):[C:28]:1[N:29]([H:53])[H:54])[H:55])[H:56])[H:57])([C:30](=[O:31])[N:32]([C@@:33]([C:34]([S:35][H:58])([H:59])[H:60])([C:36](=[O:37])[O:38][H:61])[H:62])[H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])[H:71])[H:72].[H][O:39][H:73]>>[H][N:32]([C@@:33]([C:34]([S:35][H:58])([H:59])[H:60])([C:36](=[O:37])[O:38][H:61])[H:62])[H:63].[N:1](=[C:2]([N:3]([H:40])[H:41])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C@:12]([C:13]([C:14]1:[C:15]([H:42]):[C:16]([H:43]):[C:17]([H:44]):[C:18]([H:45]):[C:19]:1[H:46])([H:47])[H:48])([N:20]([C:21](=[O:22])[C:23]1:[C:24]([H:49]):[C:25]([H:50]):[C:26]([H:51]):[C:27]([H:52]):[C:28]:1[N:29]([H:53])[H:54])[H:55])[H:56])[H:57])([C:30](=[O:31])[O:39][H:73])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])[H:71])[H:72]