HRID98613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate Ion

CO3-2

HCID2777204

2-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

HCID25151852

未命名化合物

PRODUCTS

产物

HCID68410715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8397bd822eb7441bb207f661785f2344
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:39](=[O:40])([O-:41])[O-:42].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:38])[O:10][C:11]([CH3:13])([CH2:14][NH:15][C:16]([c:17]3[cH:18][cH:19][c:20](-[c:23]4[o:24][c:25]5[c:26]([n:27]4)[cH:28][c:29]([C:35]#[N:36])[cH:30][c:31]5[CH:32]([CH3:33])[CH3:34])[cH:21][cH:22]3)=[O:37])[CH2:12]2)[n:6][cH:7]1.[F:45][C:46]([O:47][c:48]1[c:49]([B:54]([OH:55])[OH:56])[cH:50][cH:51][cH:52][cH:53]1)([F:57])[F:58].[K+:43].[K+:44].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH2:64]>>[c:2]1(-[c:49]2[c:48]([O:47][C:46]([F:45])([F:57])[F:58])[cH:53][cH:52][cH:51][cH:50]2)[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:38])[O:10][C:11]([CH3:13])([CH2:14][NH:15][C:16]([c:17]3[cH:18][cH:19][c:20](-[c:23]4[o:24][c:25]5[c:26]([n:27]4)[cH:28][c:29]([C:35]#[N:36])[cH:30][c:31]5[CH:32]([CH3:33])[CH3:34])[cH:21][cH:22]3)=[O:37])[CH2:12]2)[n:6][cH:7]1