SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:11]([C@@:2]([N:1]([H:44])[H:45])([C:3]([C:4]1:[C:5]([H:26]):[C:6]([H:27]):[C:7]([O:8][H:28]):[C:9]([H:29]):[C:10]:1[H:30])([H:31])[H:32])[H:43])=[O:12])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H].[H][O:25][H:46]>>[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:26]):[C:6]([H:27]):[C:7]([O:8][H:28]):[C:9]([H:29]):[C:10]:1[H:30])([H:31])[H:32])([C:11](=[O:12])[O:25][H:46])[H:43])([H:44])[H:45]
Derived Operators
EVODEX.1-F195 - Elemental Balance
| O | -2 |
| C | -9 |
| N | -1 |
| H | -11 |
EVODEX.1-M176 - Mass Difference
-165.07903
EVODEX.1-E894 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:1](-[H:39])-[H]>>[#8:1](-[#6:8](-[#6:7])=[#8:9])-[H:39]
EVODEX.1-C907 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:14])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:28]>>[#6:14]-[#8:28]
EVODEX.1-N1139 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:14](-[#6@:2])=[#8:15])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:28]-[H:51]>>[#6:14](-[#6@:2])(=[#8:15])-[#8:28]-[H:51]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5462
[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:26]):[C:6]([H:27]):[C:7]([O:8][H:28]):[C:9]([H:29]):[C:10]:1[H:30])([H:31])[H:32])([C:11](=[O:12])[N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:33]):[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]:1[H:37])([H:38])[H:39])([C:22](=[O:23])[O:24][H:40])[H:41])[H:42])[H:43])([H:44])[H:45].[H][O:25][H:46]>>[H][N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:33]):[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]:1[H:37])([H:38])[H:39])([C:22](=[O:23])[O:24][H:40])[H:41])[H:42].[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:26]):[C:6]([H:27]):[C:7]([O:8][H:28]):[C:9]([H:29]):[C:10]:1[H:30])([H:31])[H:32])([C:11](=[O:12])[O:25][H:46])[H:43])([H:44])[H:45]