HRID184220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7609

Benzene, 1,2-dichloro-4-(chloromethyl)-

C7H5Cl3

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)c1ccc(C2(NC(=O)c3cccc4c3NCC4)CC2)cc1

HCID58017568

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C2(NC(=O)c3cccc4c3N(Cc3ccc(Cl)c(Cl)c3)CC4)CC2)cc1

HCID67279905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaf57a7a570f451a9c5d57496302a3c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:49]([N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH3:65].[CH3:45][C:46]#[N:47].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:26][c:27]1[cH:28][c:29]([CH2:30][Cl:31])[cH:32][cH:33][c:34]1[Cl:35].[I-:48].[NH:1]1[CH2:2][CH2:3][c:4]2[cH:5][cH:6][cH:7][c:8]([C:10](=[O:11])[NH:12][C:13]3([c:16]4[cH:17][cH:18][c:19]([C:20](=[O:21])[O:22][CH3:23])[cH:24][cH:25]4)[CH2:14][CH2:15]3)[c:9]21>>[N:1]1([CH2:30][c:29]2[cH:28][c:27]([Cl:26])[c:34]([Cl:35])[cH:33][cH:32]2)[CH2:2][CH2:3][c:4]2[cH:5][cH:6][cH:7][c:8]([C:10](=[O:11])[NH:12][C:13]3([c:16]4[cH:17][cH:18][c:19]([C:20](=[O:21])[O:22][CH3:23])[cH:24][cH:25]4)[CH2:14][CH2:15]3)[c:9]21