HRID2324594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID97249

Benzonitrile, 3-(bromomethyl)-

C8H6BrN

结构：COc1cc(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(O)cc2)c(OC)c2ccccc12

HCID54373685

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(OCc3cccc(C#N)c3)cc2)c(OC)c2ccccc12

HCID86604541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a7c31782ebf4034be69488bcb06d8c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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