HRID953216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

结构：COc1cc(-c2cnc3[nH]cc(C#Cc4ccccc4)c3n2)cc(OC)c1OC

HCID59540554

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cnc3[nH]cc(C(=O)Cc4ccccc4)c3n2)cc(OC)c1OC

HCID44206484

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60a8e009b1b946c1b4457ac5fb53b2bb
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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