HRID2130612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

结构：Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)nn2c(I)c(-c3ccc(F)cc3)nc2c1C

HCID59406959

未命名化合物

PRODUCTS

生成物

结构：Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)nn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2c1C

HCID59406949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0919443df6f446ba89db9db9a08f4019
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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