HRID943041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID66012

1-Isocyanato-4-nitro-benzene

C7H4N2O3

结构：Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N

HCID9832447

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1

HCID10122500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a4109e64c5b418a8d482fc035d760d4
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[ClH:1].[ClH:2].[N+:39](=[O:40])([O-:41])[c:42]1[cH:43][cH:44][c:45]([N:48]=[C:49]=[O:50])[cH:46][cH:47]1.[NH2:3][c:4]1[c:5]([CH3:38])[cH:6][c:7]([O:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([n:14]([CH3:33])[c:15]([CH2:17][O:18][c:19]4[cH:20][cH:21][c:22]([CH2:23][CH:24]5[C:25](=[O:30])[NH:26][C:27](=[O:29])[S:28]5)[cH:31][cH:32]4)[n:16]3)[cH:34]2)[cH:35][c:36]1[CH3:37].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1>>[NH:3]([c:4]1[c:5]([CH3:38])[cH:6][c:7]([O:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([n:14]([CH3:33])[c:15]([CH2:17][O:18][c:19]4[cH:20][cH:21][c:22]([CH2:23][CH:24]5[C:25](=[O:30])[NH:26][C:27](=[O:29])[S:28]5)[cH:31][cH:32]4)[n:16]3)[cH:34]2)[cH:35][c:36]1[CH3:37])[C:49]([NH:48][c:45]1[cH:44][cH:43][c:42]([N+:39](=[O:40])[O-:41])[cH:47][cH:46]1)=[O:50]