HRID2147617

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

HCID7504

Benzylamine

C7H9N

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID68701441

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N(C)C(=O)OC(C)(C)C)sc1C(=O)NCc1ccccc1

HCID68702539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c894f96cfa1342d5a5d94ba08e17649e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[s:10][c:11]([C:15](=[O:16])[OH:17])[c:12]([CH3:14])[n:13]1)[CH3:18].[C:58](=[O:59])([OH:60])[O-:61].[CH3:26][N+:27]([CH3:28])=[C:29]([N:30]([CH3:31])[CH3:32])[O:33][n:34]1[c:35]2[n:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1.[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:66][N:67]([CH3:68])[c:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1.[Cl:63][CH2:64][Cl:65].[F:19][P-:20]([F:21])([F:22])([F:23])([F:24])[F:25].[NH2:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Na+:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[s:10][c:11]([C:15](=[O:17])[NH:43][CH2:44][c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:12]([CH3:14])[n:13]1)[CH3:18]