HRID161875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7910

4-Methyl-2-pentanol

C6H14O

HCID64318131

未命名化合物

HCID86617543

未命名化合物

PRODUCTS

产物

HCID68683956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-284f5c37753c417cbc2ca33c15d8b676
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

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