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Acetone → Diphenylmethyl alpha-[3-phenoxymethyl-7-oxo-2,6-diaza-4-thiabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(2-chloro-1-hydroxyethylidene)acetate

HRID 102739
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인쇄 미리보기

반응식

HRID 102739 반응식
[CH2:45]([Cl:46])[Cl:47].[CH3:1][C:2]([CH3:3])=[O:4].[CH3:48][OH:49].[O-:42][O+:43]=[O:44].[O:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[CH2:12][C:13]1=[N:14][CH:15]2[C:16](=[O:41])[N:17]([CH:20]([C:21](=[O:22])[O:23][CH:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[C:37]([CH2:38][Cl:39])=[CH2:40])[CH:18]2[S:19]1>>[OH:4][C:37](=[C:20]([N:17]1[C:16](=[O:41])[CH:15]2[N:14]=[C:13]([CH2:12][O:5][c:6]3[cH:7][cH:8][cH:9][cH:10][cH:11]3)[S:19][CH:18]21)[C:21](=[O:22])[O:23][CH:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[CH2:38][Cl:39]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 180AcetoneHCID 887MethanolHCID 6344DichloromethaneHCID 24823OzoneHCID 20464414Diphenylmethyl alpha-[3-phenoxymethyl-7-oxo-2,6-diaza-4-thiabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-chloro-2-propen-2-yl)acetate

생성물 1

HCID 70504488
Diphenylmethyl alpha-[3-phenoxymethyl-7-oxo-2,6-diaza-4-thiabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(2-chloro-1-hydroxyethylidene)acetate

출처 및 근거

ORD 기록
ord-c8d5cc8bc21e4709a75ce1bd1d0b798c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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