HRID179161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28486

Lithium ion

Li+

HCID74065

Benzenesulfonamide, p-acetyl- (6CI,7CI,8CI)

C8H9NO3S

HCID3826051

未命名化合物

HCID16115908

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCC(CO)CO)c(C=CC(=O)c2ccc(S(N)(=O)=O)cc2)cc1-c1cccs1

HCID69645836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36d6d92eb8934c6987e2bdb9728cb096
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:23]([CH3:24])(=[O:25])[c:26]1[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[NH2:35])[cH:30][cH:31]1.[CH3:36][O-:37].[CH3:39][OH:40].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Li+:38].[OH2:46].[OH:1][CH2:2][CH:3]([CH2:4][O:5][c:6]1[c:7]([CH:8]=[O:9])[cH:10][c:11](-[c:16]2[s:17][cH:18][cH:19][cH:20]2)[c:12]([O:14][CH3:15])[cH:13]1)[CH2:21][OH:22]>>[OH:1][CH2:2][CH:3]([CH2:4][O:5][c:6]1[c:7]([CH:8]=[CH:24][C:23](=[O:25])[c:26]2[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[NH2:35])[cH:30][cH:31]2)[cH:10][c:11](-[c:16]2[s:17][cH:18][cH:19][cH:20]2)[c:12]([O:14][CH3:15])[cH:13]1)[CH2:21][OH:22]