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Chloride → p-Nitrobenzyl alpha-[4-mercapto-3-phenoxyacetamido-2-oxoazetidin-1-yl]-alpha-(2-bromo-1-hydroxyethylidene)acetate

HRID 283042
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인쇄 미리보기

반응식

HRID 283042 반응식
[Al+3:44].[CH3:48][OH:49].[CH:1]1([CH2:2][O:3][C:4](=[O:5])[S:8][CH:9]2[CH:10]([NH:32][C:33]([CH2:34][O:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)=[O:42])[C:11](=[O:31])[N:12]2[C:13]([C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]2)=[C:27]([CH2:28][Br:29])[OH:30])[CH2:6][CH2:7]1.[Cl-:43].[Cl-:45].[Cl-:46].[OH2:47]>>[SH:8][CH:9]1[CH:10]([NH:32][C:33]([CH2:34][O:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:42])[C:11](=[O:31])[N:12]1[C:13]([C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]1)=[C:27]([CH2:28][Br:29])[OH:30]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 312Chloride3회HCID 887MethanolHCID 962WaterHCID 104727Aluminum CationHCID 86735549p-Nitrobenzyl alpha-[4-cyclopropylmethoxycarbonylthio-3-phenoxyacetamido-2-oxoazetidin-1-yl]-alpha-(2-bromo-1-hydroxyethylidene)acetate

생성물 1

HCID 86735550
p-Nitrobenzyl alpha-[4-mercapto-3-phenoxyacetamido-2-oxoazetidin-1-yl]-alpha-(2-bromo-1-hydroxyethylidene)acetate

출처 및 근거

ORD 기록
ord-7746068b8ec548728f9c2817640ceaf2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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