Dichloromethane → 2-Benzyl-4-(2'-trifluoromethyl-biphenyl-4-ylmethyl)-piperazine-1-carboxylic acid methylamide

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH2:9][N:10]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[CH2:11][CH2:12][NH:13]1.[CH3:31][N:32]=[C:33]=[O:34].[Cl:35][CH2:36][Cl:37]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH2:9][N:10]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[CH2:11][CH2:12][N:13]1[C:33]([NH:32][CH3:31])=[O:34]

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 12228Methyl Isocyanate

HCID 235851083-Benzyl-1-(2'-trifluoromethyl-biphenyl-4-ylmethyl)-piperazine

생성물 1

HCID 578495812-Benzyl-4-(2'-trifluoromethyl-biphenyl-4-ylmethyl)-piperazine-1-carboxylic acid methylamide

출처 및 근거

ORD 기록: ord-8cf17d0fdbfc425a84e7abd15b9c521b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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