Hydrochloric Acid → N-{4-[2-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-2-methyl-phenyl}-N-ethyl-acetamide

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 27721443-(1-Piperazinyl)-1,2-benzisothiazole

HCID 21963286N-[4-(2-Chloro-ethyl)-2-methyl-phenyl]-N-ethyl-acetamide

생성물 1

HCID 10025284N-{4-[2-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-2-methyl-phenyl}-N-ethyl-acetamide

출처 및 근거

ORD 기록: ord-0bad76d7a6f9448599296f9ee4d7bd23
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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