HRID2342780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

反应SMILES：O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1

HCID57516850

1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl chloride

C11H7ClF2O3

反应SMILES：CC(C)(C)c1cc2c(C#N)c(N)ccc2n1CCO

HCID58183222

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)c1cc2c(C#N)c(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCO

HCID46199645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cbfcedabcad14739a5c7edf2863ec022
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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