SMIRKS
O=[C:5]([C:4]([C:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])[C:7](=[O:8])[O:9][H:20].[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[N:10]([H:37])[H:38]>>[H][C@:5]([C:4]([C:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([C:7](=[O:8])[O:9][H:20])[N:10]([H:37])[H:38]
Derived Operators
EVODEX.1-F59 - Elemental Balance
| C | -5 |
| O | -5 |
| H | -6 |
EVODEX.1-M57 - Mass Difference
-146.02147999999997
EVODEX.1-C66 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1].[#8]=[#6:14]>>[H]-[#6@:14]-[#7:1]
EVODEX.1-N52 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1](-[H:30])-[H:31].[#8]=[#6:14](-[#6:12])-[#6:16]>>[H]-[#6@:14](-[#7:1](-[H:30])-[H:31])(-[#6:12])-[#6:16]
EVODEX.1-Em19 - Reaction Operator Em
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]=[#8:18]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]=[#8:18]
EVODEX.1-Nm15 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]
Source Full Reactions
EVODEX.1-R3677
[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29].[H][C@:11]([N:10]([H:37])[H:38])([C:12]([C:13]([C:14](=[O:15])[O:16][H:30])([H:31])[H:32])([H:33])[H:34])[C:17](=[O:18])[O:19][H:35]>>[H][C@:5]([C:4]([C:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([C:7](=[O:8])[O:9][H:20])[N:10]([H:37])[H:38].[O:6]=[C:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:30])([H:31])[H:32])([H:33])[H:34])[C:17](=[O:18])[O:19][H:35]