SMIRKS
[H]N([H])[C:3]([C:2]#[C:1][H:33])([H:31])[H:32].[H][N:5]([C:6](=[O:7])[C:8]([C:9]([C@:10]([N:11]([C:12](=[O:13])[O:14][C:15]([C:16]1:[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]([H:37]):[C:21]:1[H:38])([H:39])[H:40])[H:41])([C:22](=[O:23])[N:24]([C:25]([C:26](=[O:27])[O:28][H:42])([H:43])[H:44])[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51]>>[C:1](#[C:2][C:3]([N:5]([C:6](=[O:7])[C:8]([C:9]([C@:10]([N:11]([C:12](=[O:13])[O:14][C:15]([C:16]1:[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]([H:37]):[C:21]:1[H:38])([H:39])[H:40])[H:41])([C:22](=[O:23])[N:24]([C:25]([C:26](=[O:27])[O:28][H:42])([H:43])[H:44])[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])([H:31])[H:32])[H:33]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E627 - Reaction Operator E
[#7:10](-[#6:11])(-[H:26])-[H].[#7](-[#6:2](-[#6:3])(-[H:42])-[H:43])(-[H])-[H]>>[#6:2](-[#6:3])(-[#7:10](-[#6:11])-[H:26])(-[H:42])-[H:43]
EVODEX.1-N422 - Reaction Operator N
[H]-[#7](-[H])-[#6:2](-[#6:3])(-[H:27])-[H:28].[H]-[#7:9](-[#6:10])-[H:41]>>[#6:2](-[#6:3])(-[#7:9](-[#6:10])-[H:41])(-[H:27])-[H:28]
EVODEX.1-Em468 - Reaction Operator Em
[H]-[#7](-[H])-[#6:2]-[#6:3].[H]-[#7:9]-[#6:10]>>[#6:2](-[#6:3])-[#7:9]-[#6:10]
EVODEX.1-Nm419 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:2]-[#6:3].[H]-[#7:9]-[#6:10]>>[#6:2](-[#6:3])-[#7:9]-[#6:10]
Source Full Reactions
EVODEX.1-R2871
[C:1](#[C:2][C:3]([N:4]([H:29])[H:30])([H:31])[H:32])[H:33].[H][N:5]([C:6](=[O:7])[C:8]([C:9]([C@:10]([N:11]([C:12](=[O:13])[O:14][C:15]([C:16]1:[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]([H:37]):[C:21]:1[H:38])([H:39])[H:40])[H:41])([C:22](=[O:23])[N:24]([C:25]([C:26](=[O:27])[O:28][H:42])([H:43])[H:44])[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51]>>[C:1](#[C:2][C:3]([N:5]([C:6](=[O:7])[C:8]([C:9]([C@:10]([N:11]([C:12](=[O:13])[O:14][C:15]([C:16]1:[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]([H:37]):[C:21]:1[H:38])([H:39])[H:40])[H:41])([C:22](=[O:23])[N:24]([C:25]([C:26](=[O:27])[O:28][H:42])([H:43])[H:44])[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])([H:31])[H:32])[H:33].[H][N:4]([H:29])[H:30]