HRID1130473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID4985744

2-Fluoro-3-methoxyphenylboronic acid

C7H8BFO3

反应SMILES：O=C(Nc1cccnn1)N1CC(Oc2ccc(Br)cn2)C1

HCID66710355

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cccc(-c2ccc(OC3CN(C(=O)Nc4cccnn4)C3)nc2)c1F

HCID44218901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-41c720d07ebe400da60786a6d97873e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:34](=[O:35])([O-:36])[O-:37].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl:40][CH2:41][Cl:42].[F:1][c:2]1[c:3]([B:10]([OH:11])[OH:12])[cH:4][cH:5][cH:6][c:7]1[O:8][CH3:9].[K+:38].[K+:39].[OH2:48].[n:13]1[n:14][c:15]([NH:19][C:20](=[O:21])[N:22]2[CH2:23][CH:24]([O:26][c:27]3[n:28][cH:29][c:30]([Br:33])[cH:31][cH:32]3)[CH2:25]2)[cH:16][cH:17][cH:18]1>>[F:1][c:2]1[c:3](-[c:30]2[cH:29][n:28][c:27]([O:26][CH:24]3[CH2:23][N:22]([C:20]([NH:19][c:15]4[n:14][n:13][cH:18][cH:17][cH:16]4)=[O:21])[CH2:25]3)[cH:32][cH:31]2)[cH:4][cH:5][cH:6][c:7]1[O:8][CH3:9]