Formaldehyde → 7-chloro-2-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

HRID 689341Notes

Reaction equation

HRID 689341 reaction equation
[CH2:59]=[O:60].[CH3:35][O:36][CH:37]([O:38][CH3:39])[CH2:40][CH2:41][CH2:42][NH:43][CH3:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([n:8]([CH2:11][CH:12]([c:13]4[cH:14][n:15][c:16]([CH3:17])[cH:18][cH:19]4)[OH:20])[c:9]2[cH:10]1)[CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]3.[Cl:26][c:27]1[cH:28][c:29]([NH:30][NH2:31])[cH:32][cH:33][cH:34]1.[Cl:45][c:46]1[cH:47][c:48]2[c:49]([c:50]([CH2:51][CH2:52][NH:53][CH3:54])[cH:55][nH:56]2)[cH:57][cH:58]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([nH:8][c:9]2[cH:10]1)[CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]3

Participants

6

Reactant 5

HCID 712FormaldehydeHCID 75332(3-Chlorophenyl)hydrazineHCID 21071655[2-(6-Chloro-1h-indol-3-yl)ethyl](methyl)amineHCID 22563572(4,4-Dimethoxybutyl)(methyl)amineHCID 442421802-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9(2H)-yl)-1-(6-methylpyridin-3-yl)ethanol

Product 1

HCID 579304787-chloro-2-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Sources & evidence

ORD record
ord-039927d9b5d841d7b4b37f233ef131d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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