Dichloromethane → 6-[2-(Phenylsulfonyl)ethyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole

반응식

[Cl:40][CH2:41][Cl:42].[OH:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39].[c:1]1([S:7](=[O:8])(=[O:9])[CH2:10][CH2:11][n:12]2[c:13]3[c:14]([c:15]4[cH:16][cH:17][cH:18][cH:19][c:20]24)[CH2:21][CH2:22][N:23]([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:24][CH2:25]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[CH2:10][CH2:11][n:12]2[c:13]3[c:14]([c:15]4[cH:16][cH:17][cH:18][cH:19][c:20]24)[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 22396854tert-Butyl 6-[2-(phenylsulfonyl)ethyl]-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate

생성물 1

HCID 223969156-[2-(Phenylsulfonyl)ethyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole

출처 및 근거

ORD 기록: ord-6cdbe533836f4e1086de6a9c338df074
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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