1-Acetyl-4-(2-chloroethyl)piperazine → 4-[2-(4-Acetylpiperazin-1-yl)ethyl]-1-[3-(3-chlorophenyl)prop-2-enoyl]-1,4-diazepan-5-one

HRID 176944

반응식

HRID 176944 반응식
[Cl:1][c:2]1[cH:3][c:4]([CH:8]=[CH:9][C:10](=[O:11])[N:12]2[CH2:13][CH2:14][NH:15][C:16](=[O:19])[CH2:17][CH2:18]2)[cH:5][cH:6][cH:7]1.[Cl:20][CH2:21][CH2:22][N:23]1[CH2:24][CH2:25][N:26]([C:29]([CH3:30])=[O:31])[CH2:27][CH2:28]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]=[CH:9][C:10](=[O:11])[N:12]2[CH2:13][CH2:14][N:15]([CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][N:26]([C:29]([CH3:30])=[O:31])[CH2:27][CH2:28]3)[C:16](=[O:19])[CH2:17][CH2:18]2)[cH:5][cH:6][cH:7]1

참가 물질

3

반응물 2

HCID 132894881-Acetyl-4-(2-chloroethyl)piperazineHCID 670748631-[3-(3-Chlorophenyl)prop-2-enoyl]-1,4-diazepan-5-one

생성물 1

HCID 684349354-[2-(4-Acetylpiperazin-1-yl)ethyl]-1-[3-(3-chlorophenyl)prop-2-enoyl]-1,4-diazepan-5-one

출처 및 근거

ORD 기록
ord-9c10977153d3482d965019ea5bdbca56
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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