HRID214810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID87836

1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene

C11H15Br

结构：CCCCCc1c(-c2ccc3c(Br)c(OCC#N)ccc3c2)[nH]c2ccccc12

HCID22327341

未命名化合物

PRODUCTS

生成物

结构：CCCCCc1c(-c2ccc3c(Br)c(OCC#N)ccc3c2)n(Cc2ccc(C(C)(C)C)cc2)c2ccccc12

HCID22327339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d062fc9ac6224bc8a5d7ef75225d7326
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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