Chloride → 5-(2-(3,9-dimethyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)ethyl)picolinic acid
Reaction equation
[CH2:31]([N+:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH3:47].[CH3:1][N:2]1[CH2:3][CH2:4][c:5]2[nH:6][c:7]3[cH:8][cH:9][c:10]([CH3:16])[cH:11][c:12]3[c:13]2[CH2:14][CH2:15]1.[CH:17](=[CH2:18])[c:19]1[cH:20][cH:21][c:22]([C:25](=[O:26])[OH:27])[n:23][cH:24]1.[Cl-:30].[Na+:29].[OH-:28].[OH2:48]>>[CH3:1][N:2]1[CH2:3][CH2:4][c:5]2[n:6]([CH2:18][CH2:17][c:19]3[cH:20][cH:21][c:22]([C:25](=[O:26])[OH:27])[n:23][cH:24]3)[c:7]3[cH:8][cH:9][c:10]([CH3:16])[cH:11][c:12]3[c:13]2[CH2:14][CH2:15]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-140d5c85df164ea493df42dc5ff69e5a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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