3-[4-(Trifluoromethyl)phenyl]prop-2-enoyl chloride → N-[2-(Isopropyl-methyl-amino)-benzothiazol-6-yl]-3-(4-trifluoromethyl-phenyl)-acrylamide

반응식

[CH:16]([CH3:17])([CH3:18])[N:19]([c:20]1[s:21][c:22]2[c:23]([n:24]1)[cH:25][cH:26][c:27]([NH2:29])[cH:28]2)[CH3:30].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:7]=[CH:8][C:9](=[O:10])[Cl:11])[cH:12][cH:13]1)([F:14])[F:15]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:7]=[CH:8][C:9](=[O:10])[NH:29][c:27]2[cH:26][cH:25][c:23]3[c:22]([s:21][c:20]([N:19]([CH:16]([CH3:17])[CH3:18])[CH3:30])[n:24]3)[cH:28]2)[cH:12][cH:13]1)([F:14])[F:15]

참가 물질

반응물 2

HCID 542691863-[4-(Trifluoromethyl)phenyl]prop-2-enoyl chloride

HCID 57771707N2-Isopropyl-N2-methyl-benzothiazole-2,6-diamine

생성물 1

HCID 68771374N-[2-(Isopropyl-methyl-amino)-benzothiazol-6-yl]-3-(4-trifluoromethyl-phenyl)-acrylamide

출처 및 근거

ORD 기록: ord-ca9fefac71c1428aa066fcbeb0ea2063
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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