HRID161143

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

HCID166653

Hydride

H-

HCID11470370

4-Bromomethyl-2-chloro-1-methoxybenzene

C8H8BrClO

结构：CC(C)(C)OC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2[nH]1

HCID178452971

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(C(=O)OC(C)(C)C)c2nc3ccc(OS(=O)(=O)c4ccc(F)cc4)cc3[nH]2)cc1Cl

HCID86596082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6537d0db1ff441b3840bf99f921c0d2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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