HRID309416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID123062

1-(Bromomethyl)-4-(trifluoromethyl)benzene

C8H6BrF3

HCID18464662

未命名化合物

HCID178418400

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN2CCC(Cc3ccc(C(F)(F)F)cc3)C2=O)cc(OC)c1OC

HCID18464555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78155560d5cb4bb880de6cd2d042513e
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

[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:12])[CH2:9][CH2:10][CH2:11]2)[cH:13][c:14]([O:18][CH3:19])[c:15]1[O:16][CH3:17].[CH:20]([Li:21])([CH2:22][CH3:23])[CH3:24].[F:25][C:26]([c:27]1[cH:28][cH:29][c:30]([CH2:31][Br:32])[cH:33][cH:34]1)([F:35])[F:36].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH2:37]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:12])[CH:9]([CH2:31][c:30]3[cH:29][cH:28][c:27]([C:26]([F:25])([F:35])[F:36])[cH:34][cH:33]3)[CH2:10][CH2:11]2)[cH:13][c:14]([O:18][CH3:19])[c:15]1[O:16][CH3:17]