HRID1237264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7237

o-Xylene

C8H10

HCID2826723

azanide

H2N-

HCID16685410

未命名化合物

结构：COC(=O)C(CCCC1Cc2cc(OC)c(OC)cc2CN1C)(c1ccc(OC)c(OC)c1)C(C)C

HCID20202219

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C#N)(CCCC2Cc3cc(OC)c(OC)cc3CN2C)C(C)C)cc1OC

HCID129102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4f7a888492448a4bdfedb9bade94ec3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]([CH2:12][CH2:13][CH2:14][CH:15]2[N:16]([CH3:29])[CH2:17][c:18]3[cH:19][c:20]([O:27][CH3:28])[c:21]([O:25][CH3:26])[cH:22][c:23]3[CH2:24]2)([C:30]([O:31][CH3:32])=[O:33])[CH:34]([CH3:35])[CH3:36])[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:37][Al:38][CH3:39].[Cl:49][CH2:50][Cl:51].[NH2-:40].[c:41]1([CH3:42])[c:43]([CH3:44])[cH:45][cH:46][cH:47][cH:48]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]([CH2:12][CH2:13][CH2:14][CH:15]2[N:16]([CH3:29])[CH2:17][c:18]3[cH:19][c:20]([O:27][CH3:28])[c:21]([O:25][CH3:26])[cH:22][c:23]3[CH2:24]2)([C:30]#[N:40])[CH:34]([CH3:35])[CH3:36])[cH:6][cH:7][c:8]1[O:9][CH3:10]