Dichloromethane → 7-Pyridin-4-yl-6-{3-[3-(4-trifluoromethyl-phenyl)-ureido]-phenyl}-pyrazolo[5,1-b]thiazole-3-carboxylic acid ethyl ester

HRID 685001

반응식

HRID 685001 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]2[c:8]([s:9][cH:10]1)[c:11](-[c:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1)[c:12](-[c:14]1[cH:15][c:16]([NH2:20])[cH:17][cH:18][cH:19]1)[n:13]2.[Cl:40][CH2:41][Cl:42].[F:27][C:28]([c:29]1[cH:30][cH:31][c:32]([N:35]=[C:36]=[O:37])[cH:33][cH:34]1)([F:38])[F:39]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]2[c:8]([s:9][cH:10]1)[c:11](-[c:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1)[c:12](-[c:14]1[cH:15][c:16]([NH:20][C:36]([NH:35][c:32]3[cH:31][cH:30][c:29]([C:28]([F:27])([F:38])[F:39])[cH:34][cH:33]3)=[O:37])[cH:17][cH:18][cH:19]1)[n:13]2

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 737684-(Trifluoromethyl)phenyl isocyanateHCID 674231336-(3-Amino-phenyl)-7-pyridin-4-yl-pyrazolo[5,1-b]thiazole-3-carboxylic acid ethyl ester

생성물 1

HCID 674240887-Pyridin-4-yl-6-{3-[3-(4-trifluoromethyl-phenyl)-ureido]-phenyl}-pyrazolo[5,1-b]thiazole-3-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-bcad5d71a072435cafd4d7185755fd86
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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