HRID209456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID75654

Diphenyl phosphorochloridate

C12H10ClO3P

HCID123238

1-Azabicyclo[2.2.2]octan-3-amine

C7H14N2

HCID3651079

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)cc1

HCID22045889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b0e16b5933d44b5b75f23beefc31290
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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