Benzene → p-Nitrobenzyl alpha-[4-cyclopropylmethoxycarbonylthio-3-phenoxyacetamido-2-oxoazetidin-1-yl]-alpha-(1-morpholinoethylidene)acetate

반응식

[CH2:46]1[CH2:47][O:48][CH2:49][CH2:50][NH:51]1.[CH:1]1([CH2:4][O:5][C:6](=[O:7])[S:8][CH:9]2[CH:10]([NH:35][C:36]([CH2:37][O:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)=[O:45])[C:11](=[O:34])[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]([CH3:28])[O:29][S:30]([CH3:31])(=[O:32])=[O:33])[CH2:2][CH2:3]1.[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH:1]1([CH2:4][O:5][C:6](=[O:7])[S:8][CH:9]2[CH:10]([NH:35][C:36]([CH2:37][O:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)=[O:45])[C:11](=[O:34])[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]([CH3:28])[N:51]2[CH2:46][CH2:47][O:48][CH2:49][CH2:50]2)[CH2:2][CH2:3]1

참가 물질

반응물 3

HCID 241Benzene

HCID 8083Morpholine

HCID 53642168HCID 53642168, 화합물

생성물 1

HCID 53677004p-Nitrobenzyl alpha-[4-cyclopropylmethoxycarbonylthio-3-phenoxyacetamido-2-oxoazetidin-1-yl]-alpha-(1-morpholinoethylidene)acetate

출처 및 근거

ORD 기록: ord-60dc832a11fc44d0aa22ce138f7789a4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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