HRID184912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID79846

Methyl chloroglyoxylate

C3H3ClO3

结构：CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(N)c4)nc4ccccc34)ccc21

HCID66825994

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=O)Nc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1

HCID59361968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a6587d1fed846afbb4fc38b96e03ca8
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

[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:52][N:53]([c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1)[CH3:60].[Cl:35][C:36]([C:37](=[O:38])[O:39][CH3:40])=[O:41].[Cl:49][CH2:50][Cl:51].[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[c:16]([NH:18][c:19]3[cH:20][c:21]4[cH:22][n:23][n:24]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[c:25]4[cH:26][cH:27]3)[n:17]2)[cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[c:16]([NH:18][c:19]3[cH:20][c:21]4[cH:22][n:23][n:24]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[c:25]4[cH:26][cH:27]3)[n:17]2)[cH:5][cH:6][cH:7]1)[C:36]([C:37](=[O:38])[O:39][CH3:40])=[O:41]