HRID1238948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID98969

Ethyl nipecotate

C8H15NO2

结构：Cn1c(=O)c2c(nc(Br)n2Cc2c(F)cccc2Cl)n(C)c1=O

HCID659235

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1

HCID57565596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6827dc94d4794d11a95acf4aa2d65aed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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