Dichloromethane → 4-[4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-2-thiazolyl]-N-(2,5-dimethylphenyl)-1-piperidinecarbothioamide

반응식

[CH3:23][c:24]1[c:25]([N:31]=[C:32]=[S:33])[cH:26][c:27]([CH3:30])[cH:28][cH:29]1.[Cl:34][CH2:35][Cl:36].[c:1]1([CH:7]2[CH2:8][C:9]([c:12]3[n:13][c:14]([CH:17]4[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]4)[s:15][cH:16]3)=[N:10][O:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]2[CH2:8][C:9]([c:12]3[n:13][c:14]([CH:17]4[CH2:18][CH2:19][N:20]([C:32]([NH:31][c:25]5[c:24]([CH3:23])[cH:29][cH:28][c:27]([CH3:30])[cH:26]5)=[S:33])[CH2:21][CH2:22]4)[s:15][cH:16]3)=[N:10][O:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 1404992,5-Dimethylphenyl isothiocyanate

HCID 666184764-[4-(4,5-Dihydro-5-phenyl-3-isoxazolyl)-2-thiazolyl]piperidine

생성물 1

HCID 866476744-[4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-2-thiazolyl]-N-(2,5-dimethylphenyl)-1-piperidinecarbothioamide

출처 및 근거

ORD 기록: ord-65cfaba7076c4ef59b1b4a62290f9efd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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