Toluene → 5,6,6a,7,8,9-Hexahydropyrrolo[2,1-c][1,4]benzodiazepine-11-thione

반응식

[CH2:1]1[CH2:2][CH2:3][N:4]2[CH:5]1[CH2:6][NH:7][c:8]1[c:9]([cH:12][cH:13][cH:14][cH:15]1)[C:10]2=[O:11].[CH3:16][O:17][c:18]1[cH:19][cH:20][c:21]([P:22]2(=[S:25])[S:23][P:24]([c:26]3[cH:27][cH:28][c:29]([O:30][CH3:31])[cH:32][cH:33]3)(=[S:34])[S:35]2)[cH:36][cH:37]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH2:1]1[CH2:2][CH2:3][N:4]2[CH:5]1[CH2:6][NH:7][c:8]1[c:9]([cH:12][cH:13][cH:14][cH:15]1)[C:10]2=[S:25]

참가 물질

반응물 3

HCID 1140Toluene

HCID 87949Lawesson's reagent

HCID 1457935H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-

생성물 1

HCID 219999125,6,6a,7,8,9-Hexahydropyrrolo[2,1-c][1,4]benzodiazepine-11-thione

출처 및 근거

ORD 기록: ord-441bc8ac83374e6ebb19cc6ddb56b0d4
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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