HRID803358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID1004

Phosphoric acid

H3O4P

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

结构：C=C(CCl)C1C(C(C)OC(=O)OCc2ccccc2)C(=O)N1C(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1

HCID178448401

未命名化合物

PRODUCTS

生成物

结构：C=C(CO)C1C(C(C)OC(=O)OCc2ccccc2)C(=O)N1C(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1

HCID77356954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f388b15ccb54031825679c1491992cc
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:59][S:60]([CH3:61])=[O:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Cl:1][CH2:2][C:3](=[CH2:4])[CH:5]1[CH:6]([CH:29]([CH3:30])[O:31][C:32](=[O:33])[O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[C:7](=[O:28])[N:8]1[CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]1)[CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1.[OH2:42].[P:54](=[O:55])([OH:56])([OH:57])[OH:58].[c:43]1([CH3:44])[cH:45][cH:46][c:47]([S:48]([OH:49])(=[O:50])=[O:51])[cH:52][cH:53]1>>[CH2:2]([C:3](=[CH2:4])[CH:5]1[CH:6]([CH:29]([CH3:30])[O:31][C:32](=[O:33])[O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[C:7](=[O:28])[N:8]1[CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]1)[CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]1)[OH:50]