HRID287107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

结构：COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

HCID11087024

Methyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

C15H21BO4

结构：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1nccnc1-c1cc(Cl)ccc1F

HCID178422035

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(F)c(-c3nccnc3CN3C(=O)OC(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3C)c2)c(C)c1

HCID178497507

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9017fc1b410e4fba9c919ec37b79150b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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