HRID700993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID22326752

未命名化合物

HCID24711458

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cnc(Cl)nc1NCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1

HCID59020353

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-188b58cb3cc1420cabccb23031e203d5
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

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