HRID1204710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6593

Dichloroacetyl chloride

C2HCl3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)C2CCCN2)CC1

HCID178432114

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)C2CCCN2C(=O)C(Cl)Cl)CC1

HCID178432115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94b87475b17a4f72a55245bb450b9f5b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:41][CH:42]([C:43](=[O:44])[Cl:45])[Cl:46].[F:1][c:2]1[cH:3][c:4]([C:8]2([CH2:21][CH2:22][N:23]3[CH:24]4[CH2:25][CH:26]([n:31]5[c:32]([CH3:40])[n:33][c:34]6[c:35]5[cH:36][cH:37][cH:38][cH:39]6)[CH2:27][CH:28]3[CH2:29][CH2:30]4)[CH2:9][CH2:10][N:11]([C:14]([CH:15]3[NH:16][CH2:17][CH2:18][CH2:19]3)=[O:20])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1>>[F:1][c:2]1[cH:3][c:4]([C:8]2([CH2:21][CH2:22][N:23]3[CH:24]4[CH2:25][CH:26]([n:31]5[c:32]([CH3:40])[n:33][c:34]6[c:35]5[cH:36][cH:37][cH:38][cH:39]6)[CH2:27][CH:28]3[CH2:29][CH2:30]4)[CH2:9][CH2:10][N:11]([C:14]([CH:15]3[N:16]([C:43]([CH:42]([Cl:41])[Cl:46])=[O:44])[CH2:17][CH2:18][CH2:19]3)=[O:20])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1