Dichloromethane → 4-[2-(4-1,2-Benzisothiazol-3-YL-piperazin-1-YL)-ethyl]-2-bromo-phenylamine

반응식

[Br:25][N:26]1[C:27](=[O:28])[CH2:29][CH2:30][C:31]1=[O:32].[Cl:33][CH2:34][Cl:35].[s:1]1[n:2][c:3]([N:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([NH2:24])[cH:22][cH:23]3)[CH2:14][CH2:15]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[n:2][c:3]([N:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([NH2:24])[c:22]([Br:25])[cH:23]3)[CH2:14][CH2:15]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 67184N-bromobutanimide

HCID 219631764-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-phenylamine

생성물 1

HCID 219635064-[2-(4-1,2-Benzisothiazol-3-YL-piperazin-1-YL)-ethyl]-2-bromo-phenylamine

출처 및 근거

ORD 기록: ord-c76e6edcbc5149f09a91dd6c4bbabc6d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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