1,1-Dichloroethane → 4-(2,5-Dimethylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile

HRID 1113670

반응식

HRID 1113670 반응식
[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[CH2:16][CH:17]([CH3:34])[N:18]([c:22]2[cH:23][c:24]([C:30]([F:31])([F:32])[F:33])[c:25]([C:26]#[N:27])[cH:28][cH:29]2)[CH2:19][CH:20]1[CH3:21].[Cl:1][C:2]([O:3][CH:4]([Cl:5])[CH3:6])=[O:7].[Cl:35][CH:36]([Cl:37])[CH3:38]>>[NH:15]1[CH2:16][CH:17]([CH3:34])[N:18]([c:22]2[cH:23][c:24]([C:30]([F:31])([F:32])[F:33])[c:25]([C:26]#[N:27])[cH:28][cH:29]2)[CH2:19][CH:20]1[CH3:21]

참가 물질

4

반응물 3

HCID 63651,1-DichloroethaneHCID 5213051-Chloroethyl chloroformateHCID 187533404-(4-Benzyl-2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile

생성물 1

HCID 155160964-(2,5-Dimethylpiperazin-1-yl)-2-(trifluoromethyl)benzonitrile

출처 및 근거

ORD 기록
ord-4700b6a32c85447f83ff9a72faba1387
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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