HRID144433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID81560

Methanesulfonic acid, 1,1'-anhydride

C2H6O5S2

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

结构：CCOC(=O)c1cnc(SCC(O)c2ccc(C#N)cc2)[nH]1

HCID22612527

未命名化合物

PRODUCTS

生成物

HCID22612521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fb84e8849d74362aa47ae7409e46268
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

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][S:11][c:12]2[n:13][cH:14][c:15]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[nH:16]2)[OH:22])[cH:7][cH:8]1.[C:56](=[O:57])([OH:58])[O-:59].[CH2:61]([Cl:62])[Cl:63].[CH3:32][C:33]([O:34][C:35]([O:36][C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])=[O:44])([CH3:45])[CH3:46].[CH3:47][S:48]([O:49][S:50]([CH3:51])(=[O:52])=[O:53])(=[O:54])=[O:55].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[Na+:60]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH2:10][S:11][c:12]3[n:13][cH:14][c:15]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[n:16]32)[cH:7][cH:8]1