HRID298094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID24386

Thionyl chloride

Cl2OS

结构：COc1ccc(CNc2ccc3c(CO)nn(Cc4ccc(OC)cc4)c3n2)cc1

HCID56833645

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2ccc3c(CCl)nn(Cc4ccc(OC)cc4)c3n2)cc1

HCID56833646

3-(Chloromethyl)-N,1-bis(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-6-amine

C23H23ClN4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-049fb6fb04f042b6977642126e2a3337
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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