HRID139337

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID21618042

2-(Bromomethyl)-6-fluoroquinoline

C10H7BrFN

结构：CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(O)ccc2n1Cc1ccc(Br)cc1

HCID44474265

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OCc3ccc4cc(F)ccc4n3)ccc2n1Cc1ccc(Br)cc1

HCID56849552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ecf8ccf54db40beb72cecb5e020e1f6
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

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