HRID669479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID453

Hexitol

C6H14O6

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID47263

Cetaben

C23H39NO2

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCNc1ccc(C(=O)OCC(O)C(O)C(O)C(O)CO)cc1

HCID21326956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ec2c51de67240a7848625f42eec3e5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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