1,2-Dichloroethane → 2-[3-(Amino)benzoyl]-9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]-indole

HRID 2318767Notes

Reaction equation

HRID 2318767 reaction equation
[CH2:46]([Cl:47])[CH2:48][Cl:49].[CH3:2][n:3]1[c:4]2[c:5]([c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]13)[CH2:12][CH2:13][NH:14][CH2:15]2.[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[ClH:1].[NH2:16][c:17]1[cH:18][cH:19][cH:20][c:21]([C:23]([OH:24])=[O:25])[cH:22]1.[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:26].[OH2:55].[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[CH3:2][n:3]1[c:4]2[c:5]([c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]13)[CH2:12][CH2:13][N:14]([C:23]([c:21]1[cH:20][cH:19][cH:18][c:17]([NH2:16])[cH:22]1)=[O:24])[CH2:15]2

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 962Water2×HCID 6228DimethylformamideHCID 74193-Aminobenzoic AcidHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 109977549-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Product 1

HCID 98613092-[3-(Amino)benzoyl]-9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]-indole

Sources & evidence

ORD record
ord-3a4700119e594faebbbe529545d1328d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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