HRID148257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID34367

1-(9-Fluorenyl)methyl chloroformate

C15H11ClO2

结构：CC(C)(C)c1cnc(NC(=O)c2ccc(Sc3ccc(N)cc3)c([N+](=O)[O-])c2)s1

HCID86615552

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cnc(NC(=O)c2ccc(Sc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)c([N+](=O)[O-])c2)s1

HCID86615553

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1274cc5b0ddd417aa629c7cdba781adf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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