HRID1210615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6323

Methyl bromide

CH3Br

结构：CCC(C)(C)c1ccc(P(c2ccc(C(C)(C)CC)cc2)c2ccc(C(C)(C)CC)cc2)cc1

HCID12900990

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：CCC(C)(C)c1ccc([P+](C)(c2ccc(C(C)(C)CC)cc2)c2ccc(C(C)(C)CC)cc2)cc1

HCID23463777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-332ca98937eb4947a46c1307e10ef0bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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