HRID1569425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID3761204

Isoquinoline-4-boronic acid

C9H8BNO2

结构：COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1I

HCID59343876

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cncc2ccccc12

HCID11563310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17024ee8aaf84b5aab277a609f4219f0
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

[CH3:33][CH2:34][OH:35].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([O:9][CH3:10])=[O:11])[CH2:12][c:13]2[c:14]([I:23])[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:31])[F:32].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[cH:36]1[n:37][cH:38][c:39]([B:46]([OH:47])[OH:48])[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]12>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([O:9][CH3:10])=[O:11])[CH2:12][c:13]2[c:14](-[c:39]3[cH:38][n:37][cH:36][c:45]4[c:40]3[cH:41][cH:42][cH:43][cH:44]4)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:31])[F:32]