Ethyl Acetate → [5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-4-(4-pyridylmethyl)pyrazol-3-yl]methanamine

반응식

[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[N:1](=[N+:2]=[N-:3])[CH2:4][c:5]1[n:6][n:7]([CH:26]([CH3:27])[CH3:28])[c:8]([S:17][c:18]2[cH:19][c:20]([Cl:25])[cH:21][c:22]([Cl:24])[cH:23]2)[c:9]1[CH2:10][c:11]1[cH:12][cH:13][n:14][cH:15][cH:16]1>>[NH2:1][CH2:4][c:5]1[n:6][n:7]([CH:26]([CH3:27])[CH3:28])[c:8]([S:17][c:18]2[cH:19][c:20]([Cl:25])[cH:21][c:22]([Cl:24])[cH:23]2)[c:9]1[CH2:10][c:11]1[cH:12][cH:13][n:14][cH:15][cH:16]1

참가 물질

반응물 2

HCID 8857Ethyl Acetate

HCID 867588894-[3-azidomethyl-5-(3,5-dichlorophenylthio)-1-isopropyl-1H-pyrazol-4-ylmethyl]pyridine

생성물 1

HCID 514443[5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-4-(4-pyridylmethyl)pyrazol-3-yl]methanamine

출처 및 근거

ORD 기록: ord-6f6a8ffeafd44f18ae1ed5391a9975a4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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