HRID1557361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

结构：COc1cc2c(-c3cc4c(CO)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

HCID67147944

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(-c3cc4c(CCl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

HCID67147535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d6edff503a64dffb4be3d1b92086342
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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