HRID144082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID62325

2-Methylpropanoyl chloride

C4H7ClO

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC1CCNCC1

HCID58960220

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC1CCN(C(=O)C(C)C)CC1

HCID10217880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-854a8491078640498167c72079c864c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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