HRID186449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cccc(-c2c(-c3ccncc3)nc(Cl)n(C)c2=O)c1

HCID16115688

未命名化合物

结构：Cn1c(Cl)nc(-c2ccncc2)c(-c2cccc(Br)c2)c1=O

HCID22185186

未命名化合物

HCID22185196

N-[(Pyrrolidin-2-yl)methyl]propan-2-amine

C8H18N2

PRODUCTS

生成物

结构：Cc1cccc(-c2c(-c3ccncc3)nc(N3CCCC3CNC(C)C)n(C)c2=O)c1

HCID22185211

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7925f7faaf1b465392dbd5d98e9fb6c1
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

[Br:42][c:43]1[cH:44][c:45](-[c:46]2[c:47](=[O:48])[n:49]([CH3:50])[c:51]([Cl:52])[n:53][c:54]2-[c:55]2[cH:56][cH:57][n:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63]1.[CH:11]([N:12]([CH:13]([CH3:14])[CH3:15])[CH2:16][CH3:17])([CH3:18])[CH3:19].[CH:1]([CH3:2])([CH3:3])[NH:4][CH2:5][CH:6]1[NH:7][CH2:8][CH2:9][CH2:10]1.[Cl:20][c:21]1[n:22][c:23](-[c:36]2[cH:37][cH:38][n:39][cH:40][cH:41]2)[c:24](-[c:29]2[cH:30][c:31]([CH3:35])[cH:32][cH:33][cH:34]2)[c:25](=[O:28])[n:26]1[CH3:27].[Cl:64][CH2:65][Cl:66]>>[CH:1]([CH3:2])([CH3:3])[NH:4][CH2:5][CH:6]1[N:7]([c:21]2[n:22][c:23](-[c:36]3[cH:37][cH:38][n:39][cH:40][cH:41]3)[c:24](-[c:29]3[cH:30][c:31]([CH3:35])[cH:32][cH:33][cH:34]3)[c:25](=[O:28])[n:26]2[CH3:27])[CH2:8][CH2:9][CH2:10]1