HRID1562908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20176

Benzonitrile, 3,5-dimethyl-4-hydroxy-

C9H9NO

结构：OCC(C1CCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID66619474

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C#N)cc(C)c1OCC(C1CCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID66619381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35dc2c25299b4e08a3191fbb0de5f1d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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