HRID2151328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID1049

Pyridine

C5H5N

HCID15891

Phenyl carbonochloridate

C7H5ClO2

结构：CCOC(=O)c1c(C)cc2nc(CO)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C

HCID11476314

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C)cc2nc(COC(=O)NCCO)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C

HCID9828471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa965e0e069346e4a0363c89985805ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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