HRID95257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID2737801

(2-Amino-4-(methoxycarbonyl)phenyl)boronic acid

C8H10BNO4

结构：COc1ccc(Br)cc1-c1ccc(C(F)(F)F)cc1C1OC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID178488289

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(OC)c(-c3ccc(C(F)(F)F)cc3C3OC(=O)N(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3C)c2)c(N)c1

HCID178497527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0babbbf71087487c90212d78f8e7a455
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:56](=[O:57])([O-:58])[O-:59].[CH3:62][CH2:63][OH:64].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:32])[O:9][CH:10]([c:13]3[c:14](-[c:23]4[c:24]([O:30][CH3:31])[cH:25][cH:26][c:27]([Br:29])[cH:28]4)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]3)[CH:11]2[CH3:12])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:40])[F:41].[K+:60].[K+:61].[NH2:42][c:43]1[c:44]([B:53]([OH:54])[OH:55])[cH:45][cH:46][c:47]([C:49](=[O:50])[O:51][CH3:52])[cH:48]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:32])[O:9][CH:10]([c:13]3[c:14](-[c:23]4[c:24]([O:30][CH3:31])[cH:25][cH:26][c:27](-[c:44]5[c:43]([NH2:42])[cH:48][c:47]([C:49](=[O:50])[O:51][CH3:52])[cH:46][cH:45]5)[cH:28]4)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]3)[CH:11]2[CH3:12])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:40])[F:41]