Hydrochloric Acid → S-[2-benzyl-3-oxo-3-[(2-oxoazepan-4-yl)amino]propyl] ethanethioate

HRID 195228

반응식

HRID 195228 반응식
[C:17]([CH3:18])(=[O:19])[S:20][CH2:21][CH:22]([C:23](=[O:24])[Cl:25])[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:34][C:35]#[N:36].[ClH:33].[NH2:1][CH:2]1[CH2:3][C:4](=[O:5])[NH:6][CH2:7][CH2:8][CH2:9]1.[OH2:37]>>[NH:1]([CH:2]1[CH2:3][C:4](=[O:5])[NH:6][CH2:7][CH2:8][CH2:9]1)[C:23]([CH:22]([CH2:21][S:20][C:17]([CH3:18])=[O:19])[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)=[O:24]

참가 물질

7

출처 및 근거

ORD 기록
ord-8906ac5793cb4a52a1b2764f8512f33b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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