SMIRKS
[H][C:1]([C:2]1:[C:3]([H:30]):[N:4]([C@@:5]2([H:31])[C:6]([H:32])([H:33])[C@@:7]([O:8][H:34])([H:35])[C@:9]([C:10]([O:11][H:36])([H:37])[H:38])([H:39])[O:12]2):[C:13](=[O:14]):[N:15]([H:40]):[C:16]:1=[O:17])([H:41])[H:42].[H]OC(=O)C([H])([H])C([H])([H])C(=O)[C:25](=[O:26])[O:27][H]>>[C:25](=[O:26])=[O:27].[H]O[C:1]([C:2]1:[C:3]([H:30]):[N:4]([C@@:5]2([H:31])[C:6]([H:32])([H:33])[C@@:7]([O:8][H:34])([H:35])[C@:9]([C:10]([O:11][H:36])([H:37])[H:38])([H:39])[O:12]2):[C:13](=[O:14]):[N:15]([H:40]):[C:16]:1=[O:17])([H:41])[H:42]
Derived Operators
EVODEX.1-F135 - Elemental Balance
| O | -2 |
| C | -4 |
| H | -6 |
EVODEX.1-M66 - Mass Difference
-86.03678000000001
EVODEX.1-E784 - Reaction Operator E
[#6:4](-[#6@:3])(-[H:22])(-[H:23])-[H].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8])-[#6:17](=[#8:18])-[#8:19]-[H])(-[H])-[H])(-[H])-[H]>>[#6:17](=[#8:18])=[#8:19].[#6:4](-[#6@:3])(-[#8]-[H])(-[H:22])-[H:23]
EVODEX.1-C51 - Reaction Operator C
[H]-[#6:1].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:19]-[#8:21]-[H]>>[#6:19]=[#8:21].[H]-[#8]-[#6:1]
EVODEX.1-N172 - Reaction Operator N
[H]-[#6:1](-[#6:2])(-[H:27])-[H:28].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:19](=[#8:20])-[#8:21]-[H]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8]-[#6:1](-[#6:2])(-[H:27])-[H:28]
EVODEX.1-Em254 - Reaction Operator Em
[H]-[#6:1]-[#6:2].[#6]-[#6](=[#8])-[#6:19](=[#8:20])-[#8:21]-[H]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8]-[#6:1]-[#6:2]
EVODEX.1-Cm53 - Reaction Operator Cm
[H]-[#6:1].[#6]-[#6:19]-[#8:21]-[H]>>[#6:19]=[#8:21].[#8]-[#6:1]
EVODEX.1-Nm252 - Reaction Operator Nm
[H]-[#6:1]-[#6:2].[#6]-[#6](=[#8])-[#6:19](=[#8:20])-[#8:21]-[H]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8]-[#6:1]-[#6:2]
Source Full Reactions
EVODEX.1-R390
[H][C:1]([C:2]1:[C:3]([H:30]):[N:4]([C@@:5]2([H:31])[C:6]([H:32])([H:33])[C@@:7]([O:8][H:34])([H:35])[C@:9]([C:10]([O:11][H:36])([H:37])[H:38])([H:39])[O:12]2):[C:13](=[O:14]):[N:15]([H:40]):[C:16]:1=[O:17])([H:41])[H:42].[H][O:27][C:25]([C:23]([C:22]([C:21]([C:19](=[O:18])[O:20][H:44])([H:48])[H:49])([H:46])[H:47])=[O:24])=[O:26].[O:28]=[O:29]>>[C:25](=[O:26])=[O:27].[H][O:28][C:1]([C:2]1:[C:3]([H:30]):[N:4]([C@@:5]2([H:31])[C:6]([H:32])([H:33])[C@@:7]([O:8][H:34])([H:35])[C@:9]([C:10]([O:11][H:36])([H:37])[H:38])([H:39])[O:12]2):[C:13](=[O:14]):[N:15]([H:40]):[C:16]:1=[O:17])([H:41])[H:42].[H][O:29][C:23]([C:22]([C:21]([C:19](=[O:18])[O:20][H:44])([H:48])[H:49])([H:46])[H:47])=[O:24]