HRID283318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)Nc1cc2c(c3ccccc13)C(CCl)CN2C(=O)C(F)(F)F

HCID10550504

未命名化合物

HCID53401772

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C=CC(=O)N2CC(CCl)c3c2cc(NC(=O)OC(C)(C)C)c2ccccc32)cc1

HCID54359221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12b5230b2d2648029ceb46e81f70d0ad
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]2[c:11]([c:12]3[c:16]([cH:17]1)[N:15]([C:18]([C:19]([F:20])([F:21])[F:22])=[O:23])[CH2:14][CH:13]3[CH2:24][Cl:25])[cH:26][cH:27][cH:28][cH:29]2.[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][O:37][c:38]1[cH:39][cH:40][c:41]([CH:42]=[CH:43][C:44]([Cl:45])=[O:46])[cH:47][cH:48]1.[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH3:57][N:58]([c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1)[CH3:65].[Cs+:34].[Cs+:35].[OH2:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]2[c:11]([c:12]3[c:16]([cH:17]1)[N:15]([C:18]([CH:19]=[CH:42][c:41]1[cH:40][cH:39][c:38]([O:37][CH3:36])[cH:48][cH:47]1)=[O:23])[CH2:14][CH:13]3[CH2:24][Cl:25])[cH:26][cH:27][cH:28][cH:29]2