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

HRID 86017

반응식

HRID 86017 반응식
[Br:1][c:2]1[n:3][n:4](-[c:12]2[n:13][cH:14][cH:15][cH:16][c:17]2[Cl:18])[c:5]([C:7]([S:8][CH2:9][CH3:10])=[O:11])[cH:6]1.[CH3:42][C:43]([CH3:44])([O-:45])[CH3:46].[CH3:48][S:49](=[O:50])[CH3:51].[K+:47].[NH2:19][c:20]1[c:21]([C:22](=[O:23])[NH:24][CH:25]([CH3:26])[CH:27]2[CH2:28][CH2:29]2)[cH:30][c:31]([Cl:34])[cH:32][cH:33]1.[Na+:35].[Na+:36].[O-:37][S:38](=[O:39])(=[O:40])[O-:41].[OH2:52]>>[Br:1][c:2]1[n:3][n:4](-[c:12]2[n:13][cH:14][cH:15][cH:16][c:17]2[Cl:18])[c:5]([C:7](=[O:11])[NH:19][c:20]2[c:21]([C:22](=[O:23])[NH:24][CH:25]([CH3:26])[CH:27]3[CH2:28][CH2:29]3)[cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[cH:6]1

참가 물질

9

반응물 8

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 923Sodium ion2회HCID 962WaterHCID 1117Sulfate IonHCID 45749132-Methylpropan-2-olateHCID 435330962-amino-5-chloro-N-(1-cyclopropylethyl)benzamideHCID 86639909S-ethyl 3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carbothioate

생성물 1

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

출처 및 근거

ORD 기록
ord-ac7edfd7f4e54a6489ad95451655eae9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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