HRID1232460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：COc1ccc(C(C)(C)CO)cc1B1OC(C)(C)C(C)(C)O1

HCID57544399

未命名化合物

结构：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1nc(Cl)ccc1Br

HCID178422033

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)(C)CO)cc1-c1ccc(Cl)nc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID178490110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af3f795a290e42beb87292af4d0152c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:53](=[O:54])([O-:55])[O-:56].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:31][O:32][c:33]1[c:34]([B:44]2[O:45][C:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[O:52]2)[cH:35][c:36]([C:39]([CH2:40][OH:41])([CH3:42])[CH3:43])[cH:37][cH:38]1.[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:28])[N:15]([CH2:19][c:20]3[n:21][c:22]([Cl:27])[cH:23][cH:24][c:25]3[Br:26])[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:29])[F:30].[K+:57].[K+:58]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:28])[N:15]([CH2:19][c:20]3[n:21][c:22]([Cl:27])[cH:23][cH:24][c:25]3-[c:34]3[c:33]([O:32][CH3:31])[cH:38][cH:37][c:36]([C:39]([CH2:40][OH:41])([CH3:42])[CH3:43])[cH:35]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:29])[F:30]