HRID2161856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

反应SMILES：COc1cc2c(Nc3ccc(C)c(OC(C)=O)c3)ncnc2cc1OCc1nc2ccccc2n1C

HCID22624972

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：COc1cc2c(Nc3ccc(C)c(O)c3)ncnc2cc1OCc1nc2ccccc2n1C

HCID15886052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e23cb071b4e64befa97baae64db62b0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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