HRID300319

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(-c2ccc(-c3ccc(CCC#N)cc3CC(C)C)cc2CC(C)C)cc1Cc1cccc2ccccc12

HCID22565254

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cc1cc(CCC#N)ccc1-c1ccc(-c2ccc(O)c(Cc3cccc4ccccc34)c2)c(CC(C)C)c1

HCID22565244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ad07ab1689342179995957c3f1cb895
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

[B:1]([Br:2])([Br:3])[Br:4].[CH2:5]([CH:6]([CH3:7])[CH3:8])[c:9]1[c:10](-[c:29]2[cH:30][c:31]([CH2:37][c:38]3[cH:39][cH:40][cH:41][c:42]4[cH:43][cH:44][cH:45][cH:46][c:47]34)[c:32]([O:35][CH3:36])[cH:33][cH:34]2)[cH:11][cH:12][c:13](-[c:15]2[c:16]([CH2:25][CH:26]([CH3:27])[CH3:28])[cH:17][c:18]([CH2:21][CH2:22][C:23]#[N:24])[cH:19][cH:20]2)[cH:14]1.[Cl:49][CH2:50][Cl:51].[OH2:48]>>[CH2:5]([CH:6]([CH3:7])[CH3:8])[c:9]1[c:10](-[c:29]2[cH:30][c:31]([CH2:37][c:38]3[cH:39][cH:40][cH:41][c:42]4[cH:43][cH:44][cH:45][cH:46][c:47]34)[c:32]([OH:35])[cH:33][cH:34]2)[cH:11][cH:12][c:13](-[c:15]2[c:16]([CH2:25][CH:26]([CH3:27])[CH3:28])[cH:17][c:18]([CH2:21][CH2:22][C:23]#[N:24])[cH:19][cH:20]2)[cH:14]1