HRID1555476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID177085

(Benzyloxy)acetyl chloride

C9H9ClO2

结构：NS(=O)(=O)c1ccc(CCNCc2cccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)cc1

HCID10239248

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(CCN(Cc2cccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)C(=O)COCc2ccccc2)cc1

HCID10283122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f80f38ea67242b095b0984a2e002968
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][CH2:15][C:16](=[O:17])[Cl:18].[NH2:19][S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([CH2:29][CH2:30][NH:31][CH2:32][c:33]2[cH:34][c:35](-[c:39]3[cH:40][c:41]([C:45](=[O:46])[NH:47][CH2:48][CH2:49][N:50]4[CH2:51][CH2:52][CH2:53][CH2:54]4)[cH:42][cH:43][cH:44]3)[cH:36][cH:37][cH:38]2)[cH:27][cH:28]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:60].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[CH2:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][CH2:15][C:16](=[O:17])[N:31]([CH2:30][CH2:29][c:26]1[cH:25][cH:24][c:23]([S:20]([NH2:19])(=[O:21])=[O:22])[cH:28][cH:27]1)[CH2:32][c:33]1[cH:34][c:35](-[c:39]2[cH:40][c:41]([C:45](=[O:46])[NH:47][CH2:48][CH2:49][N:50]3[CH2:51][CH2:52][CH2:53][CH2:54]3)[cH:42][cH:43][cH:44]2)[cH:36][cH:37][cH:38]1