HRID2127040

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(-c2ccc(OC)nc2)cc1

HCID59248877

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(-c2ccc(OC)nc2)cc1

HCID56849698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2064443d5e9f430eb37cd4cd15159cd6
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

[Br:40][CH2:41][c:42]1[n:43][c:44]2[cH:45][cH:46][c:47]([F:52])[cH:48][c:49]2[cH:50][cH:51]1.[C:53](=[O:54])([O-:55])[O-:56].[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](-[c:29]3[cH:30][n:31][c:32]([O:35][CH3:36])[cH:33][cH:34]3)[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])([CH3:37])[CH3:38])=[O:39].[CH3:59][C:60]#[N:61].[Cs+:57].[Cs+:58]>>[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](-[c:29]3[cH:30][n:31][c:32]([O:35][CH3:36])[cH:33][cH:34]3)[cH:27][cH:28]2)[c:9]2[cH:10][cH:11][c:12]([O:21][CH2:41][c:42]3[n:43][c:44]4[cH:45][cH:46][c:47]([F:52])[cH:48][c:49]4[cH:50][cH:51]3)[cH:13][c:14]2[c:15]1[S:16][C:17]([CH3:18])([CH3:19])[CH3:20])([CH3:37])[CH3:38])=[O:39]