HRID1565180

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10609255

4-(Chloromethyl)-2-(4-fluorophenyl)-5-methyl-1,3-oxazole

C11H9ClFNO

结构：CC(COc1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1)O[Si](C)(C)C(C)(C)C

HCID178458231

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccc(F)cc2)nc1CSc1nc(N)c(C#N)c(-c2ccc(OCC(C)O[Si](C)(C)C(C)(C)C)cc2)c1C#N

HCID178434852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-723f4b6d15724cd0b09afeea2a56500b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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