HRID2126901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID89599

2-(Bromomethyl)benzonitrile

C8H6BrN

结构：Cn1c(=O)c2[nH]c(C3CCCC(NC(=O)OCc4ccccc4)C3)nc2c2ccccc21

HCID58788441

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c2c(nc(C3CCCC(NC(=O)OCc4ccccc4)C3)n2Cc2ccccc2C#N)c2ccccc21

HCID16045625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73a2445f07614b4a8aca5c6ca2461387
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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