HRID88796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1727

4-Aminopyridine

C5H6N2

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)N1CCCCC1CCOc1c(-c2cccs2)c(=O)[nH]c2cc(Cl)c(N)cc12

HCID53667910

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCCC1CCOc1c(-c2cccs2)c(=O)[nH]c2cc(Cl)c(NC(=O)Nc3ccncc3)cc12

HCID53967391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef7cedd16c8a4c5eaee81e50885a5684
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:14][CH2:15][O:16][c:17]2[c:18](-[c:30]3[s:31][cH:32][cH:33][cH:34]3)[c:19](=[O:29])[nH:20][c:21]3[cH:22][c:23]([Cl:28])[c:24]([NH2:27])[cH:25][c:26]23)[CH2:10][CH2:11][CH2:12][CH2:13]1.[CH2:53]([Cl:54])[Cl:55].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cl:35][C:36]([Cl:37])=[O:38].[NH2:46][c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:14][CH2:15][O:16][c:17]2[c:18](-[c:30]3[s:31][cH:32][cH:33][cH:34]3)[c:19](=[O:29])[nH:20][c:21]3[cH:22][c:23]([Cl:28])[c:24]([NH:27][C:36](=[O:38])[NH:46][c:47]4[cH:48][cH:49][n:50][cH:51][cH:52]4)[cH:25][c:26]23)[CH2:10][CH2:11][CH2:12][CH2:13]1