Hydrochloric Acid → hexahydro-1,1-diphenyl-1H-oxazolo[3,4-a][1,4]diazepin-3-one

반응식

[C:31]([O:32][CH2:33][CH3:34])(=[O:35])[CH3:36].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[ClH:37].[O:1]=[C:2]1[O:3][C:4]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:5]2[N:6]1[CH2:7][CH2:8][CH2:9][N:10]([C:12]([O:13][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[CH2:11]2>>[O:1]=[C:2]1[O:3][C:4]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:5]2[N:6]1[CH2:7][CH2:8][CH2:9][NH:10][CH2:11]2

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 8857Ethyl Acetate2회

HCID 231218741,1-Dimethylethyl tetrahydro-3-oxo-1,1-diphenyl-1H-[1,3]oxazolo[3,4-a][1,4]diazepine-8(5H)-carboxylate

생성물 1

HCID 23122043hexahydro-1,1-diphenyl-1H-oxazolo[3,4-a][1,4]diazepin-3-one

출처 및 근거

ORD 기록: ord-0731105caa214bafadb2bfc00fa661df
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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