HRID205436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7914

Isopropyl ether

C6H14O

HCID8006

1-Bromo-3-chloropropane

C3H6BrCl

HCID166653

Hydride

H-

结构：COc1cc2c(-c3cc4cccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1O

HCID22477326

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(-c3cc4cccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OCCCCl

HCID67147656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8d9f033648b44c9b7167bf7d5b8b248
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:35][CH2:36][CH2:37][CH2:38][Cl:39].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6](-[c:14]3[cH:15][c:16]4[c:17]([n:18][cH:19][cH:20][cH:21]4)[n:22]3[S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]3)[cH:7][n:8]([CH3:13])[c:9]2[cH:10][c:11]1[OH:12].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH:49]([O:50][CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:45][CH2:46][Cl:47].[H-:33].[Na+:34].[OH2:48]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6](-[c:14]3[cH:15][c:16]4[c:17]([n:18][cH:19][cH:20][cH:21]4)[n:22]3[S:23](=[O:24])(=[O:25])[c:26]3[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]3)[cH:7][n:8]([CH3:13])[c:9]2[cH:10][c:11]1[O:12][CH2:36][CH2:37][CH2:38][Cl:39]