HRID301771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID20176

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

C9H9NO

结构：OCC(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID66619310

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C#N)cc(C)c1OCC(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID66619503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e2a76f79fba4b88bf0472444474f018
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:28][c:29]1[cH:30][c:31]([C:32]#[N:33])[cH:34][c:35]([CH3:38])[c:36]1[OH:37].[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][CH2:21]2)[cH:22][c:23]([F:27])[c:24]([F:26])[cH:25]3)[cH:6][cH:7]1.[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]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:36]2[c:29]([CH3:28])[cH:30][c:31]([C:32]#[N:33])[cH:34][c:35]2[CH3:38])[CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:22][c:23]([F:27])[c:24]([F:26])[cH:25]3)[cH:6][cH:7]1