HRID1233140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID68242

2-Furancarbonyl chloride

C5H3ClO2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(=O)N1C(C)CN(c2cc(-n3cnc(Nc4ccc(N)cc4)n3)ccn2)CC1C

HCID21106440

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1C(C)CN(c2cc(-n3cnc(Nc4ccc(NC(=O)c5ccco5)cc4)n3)ccn2)CC1C

HCID85418533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14e620bd50484b9e9e2b3a0fc27944b5
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

[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:31][CH2:32][Cl:33].[NH2:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[n:10][n:11](-[c:14]3[cH:15][c:16]([N:20]4[CH2:21][CH:22]([CH3:30])[N:23]([C:27]([CH3:28])=[O:29])[CH:24]([CH3:26])[CH2:25]4)[n:17][cH:18][cH:19]3)[cH:12][n:13]2)[cH:6][cH:7]1.[o:43]1[c:44]([C:48](=[O:49])[Cl:50])[cH:45][cH:46][cH:47]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[n:10][n:11](-[c:14]3[cH:15][c:16]([N:20]4[CH2:21][CH:22]([CH3:30])[N:23]([C:27]([CH3:28])=[O:29])[CH:24]([CH3:26])[CH2:25]4)[n:17][cH:18][cH:19]3)[cH:12][n:13]2)[cH:6][cH:7]1)[C:48]([c:44]1[o:43][cH:47][cH:46][cH:45]1)=[O:49]