HRID1226447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

2 次

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID70211

Acetic acid, oxo-, ethyl ester

C4H6O3

HCID735910

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)C(O)c1c(-c2ccc(OC)cc2)nc2ccc(C)cn12

HCID58763627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e59caf76bee9447f81e4973c743425b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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