Dichloromethane → 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-hydroxymethyl-1H-pyrazole-3-carboxylic acid [4-(3-oxo-morpholin-4-yl)-phenyl]-amide

HRID 1124461

반응식

HRID 1124461 반응식
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[n:14][c:15]([C:20](=[O:21])[OH:22])[cH:16][c:17]3[CH2:18][OH:19])[n:10][o:11]2)[s:6]1.[Cl:37][CH2:38][Cl:39].[NH2:23][c:24]1[cH:25][cH:26][c:27]([N:30]2[C:31](=[O:36])[CH2:32][O:33][CH2:34][CH2:35]2)[cH:28][cH:29]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[n:14][c:15]([C:20](=[O:22])[NH:23][c:24]4[cH:25][cH:26][c:27]([N:30]5[C:31](=[O:36])[CH2:32][O:33][CH2:34][CH2:35]5)[cH:28][cH:29]4)[cH:16][c:17]3[CH2:18][OH:19])[n:10][o:11]2)[s:6]1

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 111948544-(4-Aminophenyl)morpholin-3-oneHCID 602079621-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-hydroxymethyl-1H-pyrazole-3-carboxylic acid

생성물 1

HCID 99581051-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-hydroxymethyl-1H-pyrazole-3-carboxylic acid [4-(3-oxo-morpholin-4-yl)-phenyl]-amide

출처 및 근거

ORD 기록
ord-17751c53e7a548b38ab83f0b13a81940
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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