HRID308960

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6598

Dimethylcarbamoyl chloride

C3H6ClNO

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ccccc1

HCID25160740

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(=O)N(C)C)cc2n1Cc1ccccc1

HCID44232783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45cbcc06e2074c768c504b5a1b5e38ad
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

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