SMIRKS
[H]C([H])([H])[C:2]([C:3]([H:27])([H:28])[H:29])([C@:4]([C:5]([H:30])([H:31])[H:32])([C@:6]([N:7]([H:33])[H:34])([C:8](=[O:9])[O:10][H:35])[H:36])[H:37])[H:38]>>[H][C:2]([C:3]([H:27])([H:28])[H:29])([C@:4]([C:5]([H:30])([H:31])[H:32])([C@:6]([N:7]([H:33])[H:34])([C:8](=[O:9])[O:10][H:35])[H:36])[H:37])[H:38]
Derived Operators
EVODEX.1-F93 - Elemental Balance
| C | -1 |
| H | -2 |
EVODEX.1-M40 - Mass Difference
-14.01566
EVODEX.1-E672 - Reaction Operator E
[#6](-[#6:2](-[#6:3])(-[#6:9])-[H:20])(-[H])(-[H])-[H]>>[#6:2](-[#6:3])(-[#6:9])(-[H:20])-[H]
EVODEX.1-N558 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#6@@:2](-[#6:3])(-[#6:7])-[H:103]>>[H]-[#6:2](-[#6:3])(-[#6:7])-[H:103]
EVODEX.1-Em549 - Reaction Operator Em
[H]-[#6](-[H])(-[H])-[#6:2](-[#6:3])-[#6:7]>>[H]-[#6:2](-[#6:3])-[#6:7]
EVODEX.1-Nm496 - Reaction Operator Nm
[H]-[#6](-[H])(-[H])-[#6:2](-[#6:3])-[#6:7]>>[H]-[#6:2](-[#6:3])-[#6:7]
Source Full Reactions
EVODEX.1-R3712
[H][C:12]([C:11]([H:24])([H:25])[H:26])([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])([H:20])[H:21])[H:22].[C:1]([C:2]([C:3]([H:27])([H:28])[H:29])([C@:4]([C:5]([H:30])([H:31])[H:32])([C@:6]([N:7]([H:33])[H:34])([C:8](=[O:9])[O:10][H:35])[H:36])[H:37])[H:38])([H:39])([H:40])[H:41]>>[H][C:2]([C:3]([H:27])([H:28])[H:29])([C@:4]([C:5]([H:30])([H:31])[H:32])([C@:6]([N:7]([H:33])[H:34])([C:8](=[O:9])[O:10][H:35])[H:36])[H:37])[H:38].[C:1]([C:12]([C:11]([H:24])([H:25])[H:26])([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])([H:20])[H:21])[H:22])([H:39])([H:40])[H:41]
EVODEX.1-R3736
[H][C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:17])([H:18])[H:19].[C:7]([C:8]([C:9]([H:21])([H:22])[H:23])([C@:10]([C:11]([H:24])([H:25])[H:26])([C@:12]([N:13]([H:27])[H:28])([C:14](=[O:15])[O:16][H:29])[H:30])[H:31])[H:32])([H:33])([H:34])[H:35]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:17])([C:7]([H:33])([H:34])[H:35])([H:18])[H:19].[H][C:8]([C:9]([H:21])([H:22])[H:23])([C@:10]([C:11]([H:24])([H:25])[H:26])([C@:12]([N:13]([H:27])[H:28])([C:14](=[O:15])[O:16][H:29])[H:30])[H:31])[H:32]
EVODEX.1-R3711
[H][C:13]([C:12]([C:11]([H:24])([H:25])[H:26])([H:22])[H:23])([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])[H:20].[C:1]([C:2]([C:3]([H:27])([H:28])[H:29])([C@:4]([C:5]([H:30])([H:31])[H:32])([C@:6]([N:7]([H:33])[H:34])([C:8](=[O:9])[O:10][H:35])[H:36])[H:37])[H:38])([H:39])([H:40])[H:41]>>[H][C:2]([C:3]([H:27])([H:28])[H:29])([C@:4]([C:5]([H:30])([H:31])[H:32])([C@:6]([N:7]([H:33])[H:34])([C:8](=[O:9])[O:10][H:35])[H:36])[H:37])[H:38].[C:1]([C@@:13]([C:12]([C:11]([H:24])([H:25])[H:26])([H:22])[H:23])([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])[H:20])([H:39])([H:40])[H:41]