SMIRKS
[H]C1:C([H]):C([H]):C(C([H])([H])OC(=O)N([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C(=O)[N:15]([C@@:16]([C:17]([C:18]2:[C:19]([H:41]):[C:20]([H:42]):[C:21]([H:43]):[C:22]([H:44]):[C:23]:2[H:45])([H:46])[H:47])([C:24](=[O:25])[O:26][H:48])[H:49])[H:50]):C([H]):C:1[H]>>[H][N:15]([C@@:16]([C:17]([C:18]1:[C:19]([H:41]):[C:20]([H:42]):[C:21]([H:43]):[C:22]([H:44]):[C:23]:1[H:45])([H:46])[H:47])([C:24](=[O:25])[O:26][H:48])[H:49])[H:50]
Derived Operators
EVODEX.1-F506 - Elemental Balance
| O | -4 |
| C | -15 |
| N | -2 |
| H | -16 |
EVODEX.1-M479 - Mass Difference
-288.11107999999996
EVODEX.1-E1324 - Reaction Operator E
[#6:13]-[#7:14](-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6](=[#8])-[#6](-[#7](-[#6](=[#8])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])(-[H])-[H])-[H:59]>>[#6:13]-[#7:14](-[H:59])-[H]
EVODEX.1-C611 - Reaction Operator C
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7]2-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-2(-[H])-[#6](=[#8])-[#7:14]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:14]
EVODEX.1-N766 - Reaction Operator N
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7]2-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-2(-[H])-[#6](=[#8])-[#7:14](-[#6:13])-[H:59]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:14](-[#6:13])-[H:59]
Source Full Reactions
EVODEX.1-R5810
[O:2]=[C:3]([N:4]([C:5]([C:6](=[O:7])[N:8]1[C:9]([H:35])([H:36])[C:10]([H:37])([H:38])[C:11]([H:39])([H:40])[C@:12]1([C:13](=[O:14])[N:15]([C@@:16]([C:17]([C:18]1:[C:19]([H:41]):[C:20]([H:42]):[C:21]([H:43]):[C:22]([H:44]):[C:23]:1[H:45])([H:46])[H:47])([C:24](=[O:25])[O:26][H:48])[H:49])[H:50])[H:51])([H:52])[H:53])[H:54])[O:27][C:28]([C:29]1:[C:30]([H:55]):[C:31]([H:56]):[C:32]([H:57]):[C:33]([H:58]):[C:34]:1[H:59])([H:60])[H:61].[H][O:1][H:62]>>[H][N:15]([C@@:16]([C:17]([C:18]1:[C:19]([H:41]):[C:20]([H:42]):[C:21]([H:43]):[C:22]([H:44]):[C:23]:1[H:45])([H:46])[H:47])([C:24](=[O:25])[O:26][H:48])[H:49])[H:50].[O:1]([C:13]([C@@:12]1([H:51])[N:8]([C:6]([C:5]([N:4]([C:3](=[O:2])[O:27][C:28]([C:29]2:[C:30]([H:55]):[C:31]([H:56]):[C:32]([H:57]):[C:33]([H:58]):[C:34]:2[H:59])([H:60])[H:61])[H:54])([H:52])[H:53])=[O:7])[C:9]([H:35])([H:36])[C:10]([H:37])([H:38])[C:11]1([H:39])[H:40])=[O:14])[H:62]