SMIRKS
[H]OC(=O)[C@@]([H])(C([H])([H])[H])[N:13]([H:17])[H:18].O=[C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:39])([H:40])[H:41])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])[C:9]([H:24])([H:25])[H:26]>>[H][C@:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:39])([H:40])[H:41])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([C:9]([H:24])([H:25])[H:26])[N:13]([H:17])[H:18]
Derived Operators
EVODEX.1-F51 - Elemental Balance
| C | -3 |
| O | -3 |
| H | -4 |
EVODEX.1-M54 - Mass Difference
-88.01602
EVODEX.1-E566 - Reaction Operator E
[#6:3]-[#6:4](-[#6:5])=[#8].[#6](-[#6@@](-[#7:9](-[H:23])-[H:24])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#6:3]-[#6@@:4](-[#6:5])(-[#7:9](-[H:23])-[H:24])-[H]
EVODEX.1-C126 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#7:3].[#8]=[#6:19]>>[H]-[#6:19]-[#7:3]
EVODEX.1-N516 - Reaction Operator N
[#8]=[#6:4](-[#6:3])-[#6:5].[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#7:9](-[H:23])-[H:24]>>[H]-[#6@:4](-[#6:3])(-[#6:5])-[#7:9](-[H:23])-[H:24]
EVODEX.1-Em105 - Reaction Operator Em
[#8]=[#6:35](-[#6:33])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:39]>>[H]-[#6:35](-[#7:39])(-[#6:33])-[#6:37]
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-R3610
[H][C@:12]([C:11]([H:21])([H:22])[H:23])([N:13]([H:17])[H:18])[C:14](=[O:15])[O:16][H:19].[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([H:24])([H:25])[H:26])=[O:10])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41]>>[H][C@:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:39])([H:40])[H:41])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([C:9]([H:24])([H:25])[H:26])[N:13]([H:17])[H:18].[O:10]=[C:12]([C:11]([H:21])([H:22])[H:23])[C:14](=[O:15])[O:16][H:19]