HRID1124771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9864

Cyanamide

CH2N2

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

结构：CNC(=S)C1=CC2(CCOCC2)Oc2ccc([N+](=O)[O-])cc21

HCID19037011

未命名化合物

PRODUCTS

生成物

结构：CN=C(NC#N)C1=CC2(CCOCC2)Oc2ccc([N+](=O)[O-])cc21

HCID19037076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a86ccf711f3744f098726bd4c90fccaf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][NH:2][C:3](=[S:4])[C:5]1=[CH:6][C:7]2([O:8][c:9]3[c:10]1[cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]3)[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:24][c:25]1[cH:26][cH:27][cH:28][cH:29][n+:30]1[CH3:31].[H-:35].[I-:23].[NH2:32][C:33]#[N:34].[Na+:36].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH2:37]>>[CH3:1][N:2]=[C:3]([C:5]1=[CH:6][C:7]2([O:8][c:9]3[c:10]1[cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]3)[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[NH:32][C:33]#[N:34]