HRID192369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID18997

N-Chlorophthalimide

C8H4ClNO2

HCID122461

未命名化合物

PRODUCTS

产物

HCID9936995

p-Nitrobenzyl 3-Methyl-2-(2-chlorosulfinyl-4-oxo-3-phenoxyacetamido-1-azetidinyl)-3-butenoate

C23H22ClN3O8S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-92ec7cedbfde46a3b158481fe64fe780
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:37][N:38]1[C:39](=[O:40])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[C:47]1=[O:48].[O:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[CH2:9][C:10](=[O:11])[NH:12][CH:13]1[CH:14]2[N:15]([CH:16]([C:22](=[O:23])[O:24][CH2:25][c:26]3[cH:27][cH:28][c:29]([N+:32](=[O:33])[O-:34])[cH:30][cH:31]3)[C:17]([CH3:20])([CH3:21])[S:18]2=[O:19])[C:35]1=[O:36].[OH2:1]>>[O:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[CH2:9][C:10](=[O:11])[NH:12][CH:13]1[CH:14]([S:18](=[O:19])[Cl:37])[N:15]([CH:16]([C:17]([CH3:20])=[CH2:21])[C:22](=[O:23])[O:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([N+:32](=[O:33])[O-:34])[cH:30][cH:31]2)[C:35]1=[O:36]