4-Nitrobenzyl chloride → 2,3-Dihydro-α,α-bis(trifluoromethyl)-1H-indole-5-methanol

반응식

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

참가 물질

반응물 3

HCID 74824-Nitrobenzyl chloride

HCID 20291284HCID 20291284, 화합물

HCID 464053101-[(4-Nitrophenyl)methyl]-2,3-dihydro-1H-indole

생성물 1

HCID 139280132,3-Dihydro-α,α-bis(trifluoromethyl)-1H-indole-5-methanol

출처 및 근거

ORD 기록: ord-35ce58f617c3448f8e5133578568772d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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