Hydrochloric Acid → N-(3-chlorophenyl)-4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid2회

HCID 17968Benzene, 1-chloro-3-isocyanato-

HCID 670807024-[3-(8-Hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-1,4-diazepan-5-one

생성물 1

HCID 72529300N-(3-chlorophenyl)-4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

출처 및 근거

ORD 기록: ord-ed4ff78441984eb1b8fcf79e60e7be28
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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