HRID313044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID261546

未命名化合物

结构：COC(=O)c1ccc(OCCCBr)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID86597401

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCCCON=Cc2ccc(-c3ccccc3)cc2)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID90718552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd13f96f37e54c738444de335fb0ac20
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:48](=[O:49])([O-:50])[O-:51].[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:15][C:16]([c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)=[O:31])[cH:6][c:7]([O:10][CH2:11][CH2:12][CH2:13][Br:14])[cH:8][cH:9]1)=[O:32].[CH3:54][C:55](=[O:56])[CH3:57].[Cs+:52].[Cs+:53].[c:33]1(-[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:34][cH:35][c:36]([CH:39]=[N:40][OH:41])[cH:37][cH:38]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:15][C:16]([c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)=[O:31])[cH:6][c:7]([O:10][CH2:11][CH2:12][CH2:13][O:41][N:40]=[CH:39][c:36]2[cH:35][cH:34][c:33](-[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[cH:38][cH:37]2)[cH:8][cH:9]1)=[O:32]