HRID99246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6395

Methanesulfonic acid

CH4O3S

HCID8471

Triethylamine

C6H15N

HCID32051

Zinc (II) cation

Zn+2

HCID498716

未命名化合物

HCID9855789

未命名化合物

HCID18357452

未命名化合物

PRODUCTS

产物

HCID12148920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e25f502e14824f719e870661501c8d05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:40]([BH3-:41])#[N:42].[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:28][CH2:29][CH2:30][c:31]1[c:32]([CH:33]=[O:34])[c:35]([CH3:39])[cH:36][cH:37][cH:38]1.[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][OH:52].[Cl-:53].[Cl-:55].[NH2:6][c:7]1[c:8]2[n:9]([cH:10][c:11]([C:13](=[O:14])[NH2:15])[cH:12]1)[c:16]([CH3:20])[c:17]([CH3:19])[n:18]2.[Na+:43].[Zn+2:54]>>[NH:6]([c:7]1[c:8]2[n:9]([cH:10][c:11]([C:13](=[O:14])[NH2:15])[cH:12]1)[c:16]([CH3:20])[c:17]([CH3:19])[n:18]2)[CH2:33][c:32]1[c:31]([CH2:30][CH2:29][O:28][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:38][cH:37][cH:36][c:35]1[CH3:39]