HRID675479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID22185186

未命名化合物

结构：Cn1c(Cl)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O

HCID22185193

未命名化合物

HCID22185196

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

C8H18N2

PRODUCTS

生成物

结构：CC(C)NCC1CCCN1c1nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c(=O)n1C

HCID22185209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b87091ea467b402caa6c417837f3e3c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:45][c:46]1[cH:47][c:48](-[c:49]2[c:50](=[O:51])[n:52]([CH3:53])[c:54]([Cl:55])[n:56][c:57]2-[c:58]2[cH:59][cH:60][n:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66]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:39]2[cH:40][cH:41][n:42][cH:43][cH:44]2)[c:24](-[c:29]2[cH:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]3[cH:37][cH:38]2)[c:25](=[O:28])[n:26]1[CH3:27].[Cl:67][CH2:68][Cl:69]>>[CH:1]([CH3:2])([CH3:3])[NH:4][CH2:5][CH:6]1[N:7]([c:21]2[n:22][c:23](-[c:39]3[cH:40][cH:41][n:42][cH:43][cH:44]3)[c:24](-[c:29]3[cH:30][c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]4[cH:37][cH:38]3)[c:25](=[O:28])[n:26]2[CH3:27])[CH2:8][CH2:9][CH2:10]1