HRID105508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID89728

Ethanamine, 2,2-dimethoxy-

C4H11NO2

HCID58304049

未命名化合物

PRODUCTS

生成物

结构：COC(CNC1=Nc2ccccc2CCC1NC(=O)OCc1ccccc1)OC

HCID178495874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce3b2a1837f2442da457ead06c03bfc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:36][O:37][CH:38]([CH2:39][NH2:40])[O:41][CH3:42].[Cl:43][CH2:44][Cl:45].[OH2:24].[S:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:20][cH:21][cH:22][cH:23]2)[CH2:6][CH2:7][CH:8]1[NH:9][C:10]([O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)=[O:19].[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35]1>>[C:2]1([NH:40][CH2:39][CH:38]([O:37][CH3:36])[O:41][CH3:42])=[N:3][c:4]2[c:5]([cH:20][cH:21][cH:22][cH:23]2)[CH2:6][CH2:7][CH:8]1[NH:9][C:10]([O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)=[O:19]