HRID150664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID13114183

4-Chloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile

C6H4ClN3S

HCID59414528

未命名化合物

PRODUCTS

产物

HCID68668331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-12e9fc4aaf7d43149f3dafb7638ffbcb
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:51](=[O:52])([O-:53])[O-:54].[CH2:57]([OH:58])[CH3:59].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][n:11]([S:29](=[O:30])(=[O:31])[c:32]3[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]3)[c:12]3[n:13][cH:14][c:15]([NH:18][C:19]([O:20][CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)=[O:28])[cH:16][c:17]23)[O:39]1.[Cl:40][c:41]1[n:42][c:43]([S:49][CH3:50])[n:44][cH:45][c:46]1[C:47]#[N:48].[K+:55].[K+:56].[c:60]1([CH3:61])[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[c:9]1(-[c:41]2[n:42][c:43]([S:49][CH3:50])[n:44][cH:45][c:46]2[C:47]#[N:48])[cH:10][n:11]([S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]2)[c:12]2[n:13][cH:14][c:15]([NH:18][C:19]([O:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)=[O:28])[cH:16][c:17]12