HRID702601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID1140

Toluene

C7H8

结构：C=CCCOc1cc(-c2cccc(C=Nc3c(C(C)C)cccc3C(C)C)n2)c(C)cc1C

HCID59479617

未命名化合物

HCID178507002

未命名化合物

PRODUCTS

生成物

结构：C=CCCOc1cc(-c2cccc(C(Nc3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)c(C)cc1C

HCID59479613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c7819c6312044e7b0e71afa03aa1cf7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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