SMIRKS
[N:14](=[C:15]([N:16]([H:45])[H:46])[N:17]([C:18]([C:19]([C:20]([C@:21]([N:22]([C:23](=[O:24])[O:25][C:26]([C:27]1:[C:28]([H:47]):[C:29]([H:48]):[C:30]([H:49]):[C:31]([H:50]):[C:32]:1[H:51])([H:52])[H:53])[H:54])([C:33](=[O:34])[O:35][H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])[H:64]>>[H]C1:C(N([H])[C:33]([C@:21]([C:20]([C:19]([C:18]([N:17]([C:15](=[N:14][H:64])[N:16]([H:45])[H:46])[H:63])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:22]([C:23](=[O:24])[O:25][C:26]([C:27]2:[C:28]([H:47]):[C:29]([H:48]):[C:30]([H:49]):[C:31]([H:50]):[C:32]:2[H:51])([H:52])[H:53])[H:54])[H:56])=[O:34]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:35][H:55]
Derived Operators
EVODEX.1-F321 - Elemental Balance
| O | 2 |
| C | 10 |
| N | 1 |
| H | 9 |
EVODEX.1-M332 - Mass Difference
175.06337
EVODEX.1-E1104 - Reaction Operator E
[#8:14]=[#6:15](-[#8:16]-[H:33])-[#6:17]>>[#6](-[#6]1:[#6](-[H]):[#6](=[#8]):[#8]:[#6]2:[#6](-[H]):[#6](-[#7](-[#6:15](=[#8:14])-[#6:17])-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])(-[H])-[H].[#8:16](-[H:33])-[H]
EVODEX.1-C635 - Reaction Operator C
[#6:36]-[#8:38]>>[H]-[#6]1:[#6](-[#7](-[H])-[#6:36]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H].[H]-[#8:38]
EVODEX.1-N790 - Reaction Operator N
[#6:36](-[#6@@:28])(=[#8:37])-[#8:38]-[H:80]>>[H]-[#6]1:[#6](-[#7](-[H])-[#6:36](-[#6@@:28])=[#8:37]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H].[H]-[#8:38]-[H:80]
EVODEX.1-Em71 - Reaction Operator Em
[#6:19]-[#6:20](=[#8:21])-[#8:22]>>[#6]-[#7](-[H])-[#6:20](-[#6:19])=[#8:21].[H]-[#8:22]
EVODEX.1-Nm85 - Reaction Operator Nm
[#6:19]-[#6:20](=[#8:21])-[#8:22]>>[#6]-[#7](-[H])-[#6:20](-[#6:19])=[#8:21].[H]-[#8:22]
Source Full Reactions
EVODEX.1-R5843
[H][N:10]([C:9]1:[C:8]([H:37]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:36]):[C:2]([C:1]([H:42])([H:43])[H:44]):[C:13]:2:[C:12]([H:41]):[C:11]:1[H:40])[H:38].[N:14](=[C:15]([N:16]([H:45])[H:46])[N:17]([C:18]([C:19]([C:20]([C@:21]([N:22]([C:23](=[O:24])[O:25][C:26]([C:27]1:[C:28]([H:47]):[C:29]([H:48]):[C:30]([H:49]):[C:31]([H:50]):[C:32]:1[H:51])([H:52])[H:53])[H:54])([C:33](=[O:34])[O:35][H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])[H:64]>>[C:1]([C:2]1:[C:3]([H:36]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:37]):[C:9]([N:10]([C:33]([C@:21]([C:20]([C:19]([C:18]([N:17]([C:15](=[N:14][H:64])[N:16]([H:45])[H:46])[H:63])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([N:22]([C:23](=[O:24])[O:25][C:26]([C:27]3:[C:28]([H:47]):[C:29]([H:48]):[C:30]([H:49]):[C:31]([H:50]):[C:32]:3[H:51])([H:52])[H:53])[H:54])[H:56])=[O:34])[H:38]):[C:11]([H:40]):[C:12]([H:41]):[C:13]:1:2)([H:42])([H:43])[H:44].[H][O:35][H:55]