HRID670722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8076

2-Ethoxyethanol

C4H10O2

结构：CCc1nc(N)nc(N)c1-c1ccc(Cl)c([N+](=O)[O-])c1

HCID327404

2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine

C12H12ClN5O2

HCID7130979

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccc(C(=O)NC)cc2)c([N+](=O)[O-])c1

HCID457757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-358cee2ebd334a039eb6d39794ac50e4
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

[CH3:1][NH:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][NH:11][CH3:12])[cH:8][cH:9]1)=[O:13].[CH3:34][CH2:35][O:36][CH2:37][CH2:38][OH:39].[NH2:14][c:15]1[n:16][c:17]([CH2:32][CH3:33])[c:18](-[c:22]2[cH:23][c:24]([N+:29](=[O:30])[O-:31])[c:25]([Cl:28])[cH:26][cH:27]2)[c:19]([NH2:21])[n:20]1.[OH2:40]>>[CH3:1][NH:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][N:11]([CH3:12])[c:25]2[c:24]([N+:29](=[O:30])[O-:31])[cH:23][c:22](-[c:18]3[c:17]([CH2:32][CH3:33])[n:16][c:15]([NH2:14])[n:20][c:19]3[NH2:21])[cH:27][cH:26]2)[cH:8][cH:9]1)=[O:13]