HRID173169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID11875

2-Nitrobenzoyl chloride

C7H4ClNO3

结构：COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2O)cc1

HCID11068728

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)c2ccccc2[N+](=O)[O-])cc1

HCID178489222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd234248ed2f4aa2b099a14ddc0d8438
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

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