HRID1570280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID123061

1-(Bromomethyl)-3-(trifluoromethyl)benzene

C8H6BrF3

HCID3280088

未命名化合物

结构：COC(=O)NCc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC

HCID59343870

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC

HCID11635228

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad4b24837fd5446da40c3ce63d357698
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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