Water → N-[2-[2-(1,3-dioxolan-2-yl)phenyl]-4-oxoazetidin-3-yl]-2-phenoxyacetamide

반응식

[CH3:1][O:2][c:3]1[cH:4][c:5]([O:33][CH3:34])[cH:35][cH:36][c:37]1[CH2:38][N:6]1[CH:7]([c:22]2[c:23]([CH:28]3[O:29][CH2:30][CH2:31][O:32]3)[cH:24][cH:25][cH:26][cH:27]2)[CH:8]([NH:11][C:12]([CH2:13][O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[O:21])[C:9]1=[O:10].[CH3:39][C:40]#[N:41].[OH2:42]>>[NH:6]1[CH:7]([c:22]2[c:23]([CH:28]3[O:29][CH2:30][CH2:31][O:32]3)[cH:24][cH:25][cH:26][cH:27]2)[CH:8]([NH:11][C:12]([CH2:13][O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[O:21])[C:9]1=[O:10]

참가 물질

반응물 3

HCID 962Water

HCID 6342Acetonitrile

HCID 57133842N-[1-[(2,4-dimethoxyphenyl)methyl]-2-[2-(1,3-dioxolan-2-yl)phenyl]-4-oxoazetidin-3-yl]-2-phenoxyacetamide

생성물 1

HCID 57092750N-[2-[2-(1,3-dioxolan-2-yl)phenyl]-4-oxoazetidin-3-yl]-2-phenoxyacetamide

출처 및 근거

ORD 기록: ord-8fecca87c0134ef29477b11f6d35576a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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