3-Amino-N-(cyclopropylmethyl)benzenesulfonamide → 7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [3-(cyclopropylmethyl-sulfamoyl)-phenyl]-amide

反応式

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

参加物

反応物 2

HCID 167885833-Amino-N-(cyclopropylmethyl)benzenesulfonamide

HCID 666502687-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

生成物 1

HCID 114978117-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [3-(cyclopropylmethyl-sulfamoyl)-phenyl]-amide

出典と根拠

ORDレコード: ord-b4b9879f3a334548a890a5f6448403ee
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…