SMIRKS
[H]OC(=O)[C@@]([H])(C([H])([H])[H])[N:16]([H:20])[H:21].O=[C:9]([C:8]([C:7]([C:6]1:[C:5]([H:28]):[C:4]([H:27]):[C:3]([O:2][C:1]([H:38])([H:39])[H:40]):[C:13]([H:37]):[C:12]:1[H:36])([H:34])[H:35])([H:32])[H:33])[C:10]([H:29])([H:30])[H:31]>>[H][C@:9]([C:8]([C:7]([C:6]1:[C:5]([H:28]):[C:4]([H:27]):[C:3]([O:2][C:1]([H:38])([H:39])[H:40]):[C:13]([H:37]):[C:12]:1[H:36])([H:34])[H:35])([H:32])[H:33])([C:10]([H:29])([H:30])[H:31])[N:16]([H:20])[H:21]
Derived Operators
EVODEX.1-F165 - Elemental Balance
| O | -3 |
| C | -3 |
| H | -4 |
EVODEX.1-M175 - 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-R3606
[H][C@:15]([C:14]([H:24])([H:25])[H:26])([N:16]([H:20])[H:21])[C:17](=[O:18])[O:19][H:22].[C:1]([O:2][C:3]1:[C:4]([H:27]):[C:5]([H:28]):[C:6]([C:7]([C:8]([C:9]([C:10]([H:29])([H:30])[H:31])=[O:11])([H:32])[H:33])([H:34])[H:35]):[C:12]([H:36]):[C:13]:1[H:37])([H:38])([H:39])[H:40]>>[H][C@:9]([C:8]([C:7]([C:6]1:[C:5]([H:28]):[C:4]([H:27]):[C:3]([O:2][C:1]([H:38])([H:39])[H:40]):[C:13]([H:37]):[C:12]:1[H:36])([H:34])[H:35])([H:32])[H:33])([C:10]([H:29])([H:30])[H:31])[N:16]([H:20])[H:21].[O:11]=[C:15]([C:14]([H:24])([H:25])[H:26])[C:17](=[O:18])[O:19][H:22]