Phosphorus oxychloride → 11-Chloro-dibenzothiazepine

HRID 1149181

Reaction equation

HRID 1149181 reaction equation
[P:32]([Cl:33])([Cl:34])([Cl:35])=[O:36].[cH:17]1[cH:18][cH:19][cH:20][c:21]2[c:22]1-[c:23]1[c:24]([cH:28][cH:29][cH:30][cH:31]1)[CH:25]=[N:26][S:27]2.[cH:1]1[c:2]2[c:13]([cH:14][cH:15][cH:16]1)[S:12][c:11]1[c:6]([cH:7][cH:8][cH:9][cH:10]1)[NH:5][C:3]2=[O:4]>>[cH:17]1[cH:18][cH:19][cH:20][c:21]2[c:22]1-[c:23]1[c:24]([cH:28][cH:29][cH:30][c:31]1[Cl:34])[CH:25]=[N:26][S:27]2

Participants

4

Reactant 3

HCID 24813Phosphorus oxychlorideHCID 374829DibenzothiazepinoneHCID 66579101Dibenzothiazepine

Product 1

HCID 6854059311-Chloro-dibenzothiazepine

Sources & evidence

ORD record
ord-cb44dba5a87a497086e7c52ad9abc844
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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