SMIRKS
[H]N([H])[C@@:5]([H])([C:4]([C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])[C:7](=[O:8])[O:9][H:27].[H]OC(=O)C(C([H])([H])C1:C([H]):N([H]):C2:C([H]):C([H]):C([H]):C([H]):C:1:2)=[O:14]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:7](=[O:8])[O:9][H:27])=[O:14])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37]
Derived Operators
EVODEX.1-F280 - Elemental Balance
| C | -11 |
| N | -2 |
| O | -2 |
| H | -12 |
EVODEX.1-M565 - Mass Difference
-204.08996
EVODEX.1-E904 - Reaction Operator E
[#7](-[#6@@:2](-[#6:3])(-[#6:7]=[#8:8])-[H])(-[H])-[H].[#8]=[#6](-[#8]-[H])-[#6](=[#8:14])-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H]>>[#6:2](-[#6:3])(-[#6:7]=[#8:8])=[#8:14]
EVODEX.1-C448 - Reaction Operator C
[H]-[#7](-[H])-[#6@@:5]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)=[#8:14]>>[#6:5]=[#8:14]
EVODEX.1-N545 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:5](-[H])(-[#6:4])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)=[#8:14]>>[#6:4]-[#6:5](-[#6:7])=[#8:14]
EVODEX.1-Em14 - Reaction Operator Em
[#6](=[#8])-[#6](-[#6])=[#8:6].[H]-[#7](-[H])-[#6:11](-[H])(-[#6:12])-[#6:21]=[#8:22]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
Source Full Reactions
EVODEX.1-R3628
[H][C@@:5]([C:4]([C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([N:6]([H:25])[H:26])[C:7](=[O:8])[O:9][H:27].[O:10]=[C:11]([O:12][H:38])[C:13](=[O:14])[C:15]([C:16]1:[C:17]([H:39]):[N:18]([H:40]):[C:19]2:[C:20]([H:41]):[C:21]([H:42]):[C:22]([H:43]):[C:23]([H:44]):[C:24]:1:2)([H:45])[H:46]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:7](=[O:8])[O:9][H:27])=[O:14])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37].[H][C@@:13]([N:6]([H:25])[H:26])([C:11](=[O:10])[O:12][H:38])[C:15]([C:16]1:[C:17]([H:39]):[N:18]([H:40]):[C:19]2:[C:20]([H:41]):[C:21]([H:42]):[C:22]([H:43]):[C:23]([H:44]):[C:24]:1:2)([H:45])[H:46]