5-Chloro-N-[2-(dimethylamino)ethyl]-2-thiophenesulfonamide → 5-[7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-dimethylamino-ethyl)-amide

반응식

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

참가 물질

반응물 2

HCID 50132195-Chloro-N-[2-(dimethylamino)ethyl]-2-thiophenesulfonamide

HCID 715397323-Ethynyl-7-trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine

생성물 1

HCID 866080805-[7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-dimethylamino-ethyl)-amide

출처 및 근거

ORD 기록: ord-6e3a0d3f98bb478db1a86db09ec82897
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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