Dimethyl Sulfoxide → 3-bromo-N-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide

HRID 837778

反応式

HRID 837778 の反応式
[Br:24][c:25]1[n:26][n:27](-[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[Cl:46])[c:28]([C:30]([S:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)=[O:39])[cH:29]1.[CH3:47][C:48]([CH3:49])([O-:50])[CH3:51].[CH3:54][S:55](=[O:56])[CH3:57].[K+:52].[NH2:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][CH:14]([CH3:15])[CH:16]2[CH2:17][CH2:18]2)[cH:19][c:20]([Cl:23])[cH:21][cH:22]1.[Na+:1].[Na+:2].[O-:3][S:4](=[O:5])(=[O:6])[O-:7].[OH2:53]>>[NH:8]([c:9]1[c:10]([C:11](=[O:12])[NH:13][CH:14]([CH3:15])[CH:16]2[CH2:17][CH2:18]2)[cH:19][c:20]([Cl:23])[cH:21][cH:22]1)[C:30]([c:28]1[n:27](-[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[Cl:46])[n:26][c:25]([Br:24])[cH:29]1)=[O:39]

参加物

9

反応物 8

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 923Sodium ion2 回HCID 962WaterHCID 1117Sulfate IonHCID 45749132-Methylpropan-2-olateHCID 435330962-amino-5-chloro-N-(1-cyclopropylethyl)benzamideHCID 86639908S-benzyl 3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carbothioate

生成物 1

HCID 667361933-bromo-N-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide

出典と根拠

ORDレコード
ord-2a8a084c5f974124ad7e446286416f2d
出典データセット
Test data from https://doi.org/10.1039/C8SC04228D

関連ノート

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