HRID1232500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6331

Borane

H3B

HCID136247

3,5-Bis(trifluoromethyl)benzaldehyde

C9H4F6O

HCID67814501

未命名化合物

PRODUCTS

生成物

结构：CC(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(O)c1ccc(O)c(NS(C)(=O)=O)c1

HCID75058899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e26eb675e0a454f9262b6ce8ec21e4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[BH3:40].[CH3:42][OH:43].[F:18][C:19]([c:20]1[cH:21][c:22]([CH:23]=[O:24])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:16])[c:9]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:10]1)[CH3:17].[OH2:41].[n:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:16])[c:9]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:10]1)[CH3:17])[CH2:23][c:22]1[cH:21][c:20]([C:19]([F:18])([F:32])[F:33])[cH:27][c:26]([C:28]([F:29])([F:30])[F:31])[cH:25]1