Water → 3-chloromethyl-N-[5-(3,5-difluoro-benzyloxy)-1H-indazol-3-yl]-benzamide

반응식

[Cl:21][CH2:22][c:23]1[cH:24][c:25]([C:26](=[O:27])[Cl:28])[cH:29][cH:30][cH:31]1.[F:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][c:9]3[c:10]([NH2:16])[n:11][nH:12][c:13]3[cH:14][cH:15]2)[cH:17][c:18]([F:20])[cH:19]1.[OH2:32]>>[F:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][c:9]3[c:10]([NH:16][C:26]([c:25]4[cH:24][c:23]([CH2:22][Cl:21])[cH:31][cH:30][cH:29]4)=[O:27])[n:11][nH:12][c:13]3[cH:14][cH:15]2)[cH:17][c:18]([F:20])[cH:19]1

참가 물질

반응물 3

HCID 962Water

HCID 27333243-(Chloromethyl)benzoyl chloride

HCID 669970485-[(3,5-difluorobenzyl)oxy]-1H-indazol-3-amine

생성물 1

HCID 462448313-chloromethyl-N-[5-(3,5-difluoro-benzyloxy)-1H-indazol-3-yl]-benzamide

출처 및 근거

ORD 기록: ord-5892a3bd7667441389f88e6433eefed8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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