HRID1147906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID11788365

未命名化合物

结构：CC(C)(C)CC1NC(C(=O)O)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)c(F)c1

HCID67299695

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1NC(C(=O)NCCC2COC(C)(C)O2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)c(F)c1

HCID178442311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08c1f2a950ac43839bd895359b5bbb88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:32][C:33]1([CH3:41])[O:34][CH2:35][CH:36]([CH2:38][CH2:39][NH2:40])[O:37]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[c:3]([F:31])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[OH:30])[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[cH:16][c:17]([F:22])[c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[Cl:51][CH2:52][Cl:53]>>[Cl:1][c:2]1[c:3]([F:31])[c:4]([CH:8]2[CH:9]([C:28](=[O:30])[NH:40][CH2:39][CH2:38][CH:36]3[CH2:35][O:34][C:33]([CH3:32])([CH3:41])[O:37]3)[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[cH:16][c:17]([F:22])[c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1