Water → 2-Phenyl-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indole-6-thione

HRID 1124417Notes

Reaction equation

HRID 1124417 reaction equation
[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([P:27]2(=[S:30])[S:28][P:29]([c:31]3[cH:32][cH:33][c:34]([O:35][CH3:36])[cH:37][cH:38]3)(=[S:39])[S:40]2)[cH:41][cH:42]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[OH2:50].[c:1]1(-[c:7]2[nH:8][c:9]3[cH:10][cH:11][cH:12][c:13]4[c:14]3[c:15]2[CH2:16][CH2:17][NH:18][C:19]4=[O:20])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[nH:8][c:9]3[cH:10][cH:11][cH:12][c:13]4[c:14]3[c:15]2[CH2:16][CH2:17][NH:18][C:19]4=[S:30])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 87949Lawesson's reagentHCID 102208822-Phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

Product 1

HCID 118327522-Phenyl-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indole-6-thione

Sources & evidence

ORD record
ord-a71b24af79014beda4d8b63871088713
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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