SMIRKS
[C:1]([O:2][C:3](=[O:4])[C@@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])([C:17]([C:18]([H:40])([H:41])[H:42])([C:19]([H:43])([H:44])[H:45])[H:46])[H:47])([H:48])([H:49])[H:50]>>[H]C1:C([H]):C([H]):C(C([H])([H])O[C:7](=[O:8])[C:9]([C:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38]):C([H]):C:1[H].[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:48])([H:49])[H:50])=[O:4])([C:17]([C:18]([H:40])([H:41])[H:42])([C:19]([H:43])([H:44])[H:45])[H:46])[H:47])[H:39]
Derived Operators
EVODEX.1-F76 - Elemental Balance
| O | 1 |
| C | 7 |
| H | 8 |
EVODEX.1-M219 - Mass Difference
108.05754
EVODEX.1-E643 - Reaction Operator E
[#7:6](-[#6@@:5])(-[#6:7](=[#8:8])-[#6:9])-[H:39]>>[#6:7](=[#8:8])(-[#6:9])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H].[#7:6](-[#6@@:5])(-[H:39])-[H]
EVODEX.1-C1008 - Reaction Operator C
[#7:6](-[#6@@:5])-[#6:7]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6:7]):[#6](-[H]):[#6]:1-[H].[H]-[#7:6]-[#6@:5]
EVODEX.1-N1259 - Reaction Operator N
[#6:3]-[#6@@:5](-[#7:6](-[#6:7](=[#8:8])-[#6:9])-[H:39])(-[#6:17])-[H:47]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6:7](=[#8:8])-[#6:9]):[#6](-[H]):[#6]:1-[H].[H]-[#7:6](-[#6@:5](-[#6:3])(-[#6:17])-[H:47])-[H:39]
EVODEX.1-Em70 - Reaction Operator Em
[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]
EVODEX.1-Nm84 - Reaction Operator Nm
[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]
Source Full Reactions
EVODEX.1-R5539
[C:1]([O:2][C:3](=[O:4])[C@@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])([C:17]([C:18]([H:40])([H:41])[H:42])([C:19]([H:43])([H:44])[H:45])[H:46])[H:47])([H:48])([H:49])[H:50].[H][O:20][C:21]([C:22]1:[C:23]([H:51]):[C:24]([H:52]):[C:25]([H:53]):[C:26]([H:54]):[C:27]:1[H:55])([H:56])[H:57]>>[C:7](=[O:8])([C:9]([C:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[O:20][C:21]([C:22]1:[C:23]([H:51]):[C:24]([H:52]):[C:25]([H:53]):[C:26]([H:54]):[C:27]:1[H:55])([H:56])[H:57].[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:48])([H:49])[H:50])=[O:4])([C:17]([C:18]([H:40])([H:41])[H:42])([C:19]([H:43])([H:44])[H:45])[H:46])[H:47])[H:39]