HRID2349117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3301

Ethylenediamine

C2H8N2

HCID14817

Phosphorus pentasulfide

P4S10

结构：Cc1cc(C)c(CNC(=O)c2cc(C#N)cc3c2c(C)cn3C(C)C)c(=O)[nH]1

HCID67467470

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CNC(=O)c2cc(C3=NCCN3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1

HCID67468572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf515c55896d4c7c8abb7132603b955a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:16](=[O:17])[NH:18][CH2:19][c:20]2[c:21](=[O:28])[nH:22][c:23]([CH3:27])[cH:24][c:25]2[CH3:26])[c:6]2[c:7]([CH3:15])[cH:8][n:9]([CH:12]([CH3:13])[CH3:14])[c:10]2[cH:11]1.[NH2:29][CH2:30][CH2:31][NH2:32].[P:33]12(=[S:46])[S:34][P:35]3(=[S:45])[S:36][P:37](=[S:43])([S:38][P:39](=[S:42])([S:40]3)[S:41]1)[S:44]2>>[C:1]1([c:3]2[cH:4][c:5]([C:16](=[O:17])[NH:18][CH2:19][c:20]3[c:21](=[O:28])[nH:22][c:23]([CH3:27])[cH:24][c:25]3[CH3:26])[c:6]3[c:7]([CH3:15])[cH:8][n:9]([CH:12]([CH3:13])[CH3:14])[c:10]3[cH:11]2)=[N:29][CH2:30][CH2:31][NH:2]1