HRID2345380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：CC1CN(Cc2cn(S(=O)(=O)c3ccccc3)c(=O)c3ccc(Br)cc23)CCN1C(=O)OC(C)(C)C

HCID178430434

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2c[nH]c(=O)c3ccc(Br)cc23)CCN1C(=O)OC(C)(C)C

HCID178430432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d31787ff6e2c4955aee3b9055f2f1567
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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