HRID699828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6395

Methanesulfonic acid

CH4O3S

结构：CC1(C)CN(C2CC3(C)C(CCC4C3CCC3(C)C(C(=O)CO)CCC43)CC2O)CCO1

HCID178428173

未命名化合物

PRODUCTS

生成物

HCID85257

Methanesulfonate

CH3O3S-

HCID178428173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb746b505d174c98b368d86b6eba289e
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

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