HRID170183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8476

Benzenesulfonyl chloride, 3-nitro-

C6H4ClNO4S

HCID8857

Ethyl acetate

C4H8O2

HCID22480104

3-Phenyl-1H-indazol-5-amine

C13H11N3

PRODUCTS

生成物

结构：O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)c1

HCID22567320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73d1520361ea4203b1fb9260cba6b777
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

[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([S:10](=[O:11])(=[O:12])[Cl:13])[cH:7][cH:8][cH:9]1.[NH2:14][c:15]1[cH:16][c:17]2[c:18](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[n:19][nH:20][c:21]2[cH:22][cH:23]1.[OH2:41].[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([S:10](=[O:11])(=[O:12])[NH:14][c:15]2[cH:16][c:17]3[c:18](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[n:19][nH:20][c:21]3[cH:22][cH:23]2)[cH:7][cH:8][cH:9]1