HRID99271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6386

tert-Butyl alcohol

C4H10O

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

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

HCID178425310

未命名化合物

PRODUCTS

生成物

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

HCID178425282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cb3aac57903463a8484b4846a2b1b21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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