HRID1238394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734354

(2-Fluorophenyl)boronato(2-)

C6H6BFO2

HCID66710701

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cnccn1)N1CC(Oc2ccc(-c3ccccc3F)cn2)C1

HCID44219211

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70fd286009564ee48e989b110f97d47c
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:32](=[O:33])([O-:34])[O-:35].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[Cl:38][CH2:39][Cl:40].[F:22][c:23]1[c:24]([B:29]([OH:30])[OH:31])[cH:25][cH:26][cH:27][cH:28]1.[K+:36].[K+:37].[OH2:57].[n:1]1[c:2]([NH:7][C:8](=[O:9])[N:10]2[CH2:11][CH:12]([O:14][c:15]3[n:16][cH:17][c:18]([Br:21])[cH:19][cH:20]3)[CH2:13]2)[cH:3][n:4][cH:5][cH:6]1>>[n:1]1[c:2]([NH:7][C:8](=[O:9])[N:10]2[CH2:11][CH:12]([O:14][c:15]3[n:16][cH:17][c:18](-[c:24]4[c:23]([F:22])[cH:28][cH:27][cH:26][cH:25]4)[cH:19][cH:20]3)[CH2:13]2)[cH:3][n:4][cH:5][cH:6]1