HRID667159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID603610

2,6-Bis(bromomethyl)pyridine

C7H7Br2N

结构：Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(O)cc1

HCID66631169

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2cccc(CBr)n2)cc1

HCID66630871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a294e5bd9794692a4f9da3b964d7a20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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