Water → 2-(4-Amino-2,6-dichlorophenylsulfanyl)-benzothiazole-5-carbonitrile

반응식

[Cl:1][c:2]1[c:3]([S:12][c:13]2[s:14][c:15]3[c:16]([n:17]2)[cH:18][c:19]([C:22]#[N:23])[cH:20][cH:21]3)[c:4]([Cl:11])[cH:5][c:6]([N+:8]([O-:9])=[O:10])[cH:7]1.[OH2:24].[OH2:25].[Sn:26]([Cl:27])([Cl:28])([Cl:29])[Cl:30]>>[Cl:1][c:2]1[c:3]([S:12][c:13]2[s:14][c:15]3[c:16]([n:17]2)[cH:18][c:19]([C:22]#[N:23])[cH:20][cH:21]3)[c:4]([Cl:11])[cH:5][c:6]([NH2:8])[cH:7]1

참가 물질

반응물 3

HCID 962Water2회

HCID 24287Tin tetrachloride

HCID 221487682-(2,6-Dichloro-4-nitro-phenylsulfanyl)-benzothiazole-5-carbonitrile

생성물 1

HCID 221488262-(4-Amino-2,6-dichlorophenylsulfanyl)-benzothiazole-5-carbonitrile

출처 및 근거

ORD 기록: ord-ee53c358f29e4fa2b1fe9be8ea7c7487
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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