HRID116491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID25134

Boron tribromide

BBr3

结构：COc1ccc(NC(C)=O)c(OCC(O)CN2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)c1

HCID178492285

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(O)cc1OCC(O)CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1

HCID178474269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c32769bdeb34640b26bce4967a3474e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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