HRID153583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID15540

Benzenesulfonyl chloride, 2-nitro-

C6H4ClNO4S

结构：COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1N

HCID18354906

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]

HCID18791233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba7bfc9d17024c62bbf986411fac6298
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

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