HRID2148033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8257

2-Methyl-3-buten-2-ol

C5H10O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC1(C)C(C#CC(=O)O)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

HCID178425309

未命名化合物

PRODUCTS

生成物

结构：C=CC(C)(C)OC(=O)C#CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C

HCID178447145

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17fa420e2aa14b9dbbef7c0b0876ad1c
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

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