HRID301125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

结构：COc1cc2c(CO)nn(Cc3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)c2cc1OC

HCID15428638

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(CCl)nn(Cc3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)c2cc1OC

HCID15428639

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c12ceabd388e448d87204015b5f705d8
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][c:5]2[c:6]([CH2:39][OH:40])[n:7][n:8]([CH2:14][c:15]3[n:16][cH:17][n:18]([C:20]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)([c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:19]3)[c:9]2[cH:10][c:11]1[O:12][CH3:13].[CH3:57][CH2:58][OH:59].[CH:45]([Cl:46])([Cl:47])[Cl:48].[Cl:54][CH2:55][Cl:56].[Na+:49].[OH:50][C:51](=[O:52])[O-:53].[S:41]([Cl:42])([Cl:43])=[O:44]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([CH2:39][Cl:43])[n:7][n:8]([CH2:14][c:15]3[n:16][cH:17][n:18]([C:20]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)([c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:19]3)[c:9]2[cH:10][c:11]1[O:12][CH3:13]