Chloroacetyl chloride → 7-chloroacetyl-2,3-dihydro-4H-1,4-benzoxazin-3-one

반응식

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

참가 물질

반응물 3

HCID 6577Chloroacetyl chloride

HCID 727572H-1,4-benzoxazin-3(4H)-one

HCID 214651377-(2-(3-Benzylpiperidino)-1-oxoethyl)-2,3-dihydro-1,4-benzoxazin-3-one

생성물 1

HCID 214651477-chloroacetyl-2,3-dihydro-4H-1,4-benzoxazin-3-one

출처 및 근거

ORD 기록: ord-9724ea1e4d1946e7a7a3bd1b270ddb16
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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