HRID311593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7910

4-Methyl-2-pentanol

C6H14O

HCID76992

Mesitylene-2-sulphonic acid

C9H12O3S

结构：CC(C)(C)OC(=O)NCCN1CC2CN(Cc3ccccc3)CC(C1)O2

HCID10144351

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

HCID76992

Mesitylene-2-sulphonic acid

C9H12O3S

HCID9970422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b34adec6f35d46d0af2b22c7ee46327f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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