HRID299077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID6362

2-Iodopropane

C3H7I

HCID19660

Carbonate

CO3-2

结构：COC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(C2CCNCC2)ccc1OCc1ccccc1

HCID66990546

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(C2CCN(C(C)C)CC2)ccc1OCc1ccccc1

HCID66989977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f657feb4f69a422aabd0c3f78f15a8f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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