6-Chloropurine → 1-(4-Chloro-3-trifluoromethylphenyl)-3-[2-(9H-purin-6-ylamino)-benzothiazol-6-yl]urea

반응식

[Cl:1][c:2]1[c:3]2[nH:4][cH:5][n:6][c:7]2[n:8][cH:9][n:10]1.[NH2:11][c:12]1[s:13][c:14]2[c:15]([n:16]1)[cH:17][cH:18][c:19]([NH:21][C:22](=[O:23])[NH:24][c:25]1[cH:26][c:27]([C:32]([F:33])([F:34])[F:35])[c:28]([Cl:31])[cH:29][cH:30]1)[cH:20]2>>[c:2]1([NH:11][c:12]2[s:13][c:14]3[c:15]([n:16]2)[cH:17][cH:18][c:19]([NH:21][C:22](=[O:23])[NH:24][c:25]2[cH:26][c:27]([C:32]([F:33])([F:34])[F:35])[c:28]([Cl:31])[cH:29][cH:30]2)[cH:20]3)[c:3]2[n:4][cH:5][nH:6][c:7]2[n:8][cH:9][n:10]1

참가 물질

반응물 2

HCID 53592776-Chloropurine

HCID 231325021-(2-Aminobenzothiazol-6-yl)-3-(4-chloro-3-trifluoromethylphenyl)urea

생성물 1

HCID 1785220741-(4-Chloro-3-trifluoromethylphenyl)-3-[2-(9H-purin-6-ylamino)-benzothiazol-6-yl]urea

출처 및 근거

ORD 기록: ord-e04234dc93c2403f86bcebd2f1e740a3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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