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:6]([C@@:5]([C:4]([C:2]([C:1]([H:68])([H:69])[H:70])([C:3]([H:37])([H:38])[H:39])[H:67])([H:65])[H:66])([C:28](=[O:29])[N:30]([C@@:31]([C:32]([H:58])([H:59])[H:60])([C:33](=[O:34])[O:35][H:61])[H:62])[H:63])[H:64])[H:57]):C([H]):C:1[H]>>[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:68])([H:69])[H:70])([C:3]([H:37])([H:38])[H:39])[H:67])([H:65])[H:66])([C:28](=[O:29])[N:30]([C@@:31]([C:32]([H:58])([H:59])[H:60])([C:33](=[O:34])[O:35][H:61])[H:62])[H:63])[H:64])[H:57]
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-R5811
[C:1]([C:2]([C:3]([H:37])([H:38])[H:39])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:40])[C:10]([H:41])([H:42])[C:11]([H:43])([H:44])[C:12]([H:45])([H:46])[N:13]1[C:14](=[O:15])[C:16]([N:17]([C:18](=[O:19])[O:20][C:21]([C:22]1:[C:23]([H:47]):[C:24]([H:48]):[C:25]([H:49]):[C:26]([H:50]):[C:27]:1[H:51])([H:52])[H:53])[H:54])([H:55])[H:56])[H:57])([C:28](=[O:29])[N:30]([C@@:31]([C:32]([H:58])([H:59])[H:60])([C:33](=[O:34])[O:35][H:61])[H:62])[H:63])[H:64])([H:65])[H:66])[H:67])([H:68])([H:69])[H:70].[H][O:36][H:71]>>[C:7](=[O:8])([C@:9]1([H:40])[C:10]([H:41])([H:42])[C:11]([H:43])([H:44])[C:12]([H:45])([H:46])[N:13]1[C:14](=[O:15])[C:16]([N:17]([C:18](=[O:19])[O:20][C:21]([C:22]1:[C:23]([H:47]):[C:24]([H:48]):[C:25]([H:49]):[C:26]([H:50]):[C:27]:1[H:51])([H:52])[H:53])[H:54])([H:55])[H:56])[O:36][H:71].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:68])([H:69])[H:70])([C:3]([H:37])([H:38])[H:39])[H:67])([H:65])[H:66])([C:28](=[O:29])[N:30]([C@@:31]([C:32]([H:58])([H:59])[H:60])([C:33](=[O:34])[O:35][H:61])[H:62])[H:63])[H:64])[H:57]