HRID2345785

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6341

Ethanamine

C2H7N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CCCNC(=O)c1ccc(C)c(-c2nc(NCCCCl)nc3c2CNC(=O)N3c2c(F)cccc2F)c1

HCID59208025

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=O)c1ccc(C)c(-c2nc(NCCCNCC)nc3c2CNC(=O)N3c2c(F)cccc2F)c1

HCID59207991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5b062b671fa488a819825c5c5ad0b5c
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

[C:41](=[O:42])([O-:43])[O-:44].[CH3:38][CH2:39][NH2:40].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[Cl:1][CH2:2][CH2:3][CH2:4][NH:5][c:6]1[n:7][c:8](-[c:25]2[cH:26][c:27]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][CH3:33])[cH:34][cH:35][c:36]2[CH3:37])[c:9]2[c:10]([n:24]1)[N:11]([c:16]1[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]1[F:22])[C:12](=[O:15])[NH:13][CH2:14]2.[K+:45].[K+:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[CH2:2]([CH2:3][CH2:4][NH:5][c:6]1[n:7][c:8](-[c:25]2[cH:26][c:27]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][CH3:33])[cH:34][cH:35][c:36]2[CH3:37])[c:9]2[c:10]([n:24]1)[N:11]([c:16]1[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]1[F:22])[C:12](=[O:15])[NH:13][CH2:14]2)[NH:40][CH2:39][CH3:38]