HRID1148052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID17750212

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

C10H16BN3O2

HCID178431591

未命名化合物

PRODUCTS

生成物

结构：CC1COCCN1c1nc(-c2cnc(N)nc2)nc2c1ncn2CC(F)(F)F

HCID178431590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e96cf9cc6424716b8a133676b58b079
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

[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][n:39][c:40]([NH2:43])[n:41][cH:42]2)[O:44]1.[Cl:7][c:8]1[n:9][c:10]([N:22]2[CH:23]([CH3:28])[CH2:24][O:25][CH2:26][CH2:27]2)[c:11]2[n:12][cH:13][n:14]([CH2:17][C:18]([F:19])([F:20])[F:21])[c:15]2[n:16]1.[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH2:6]1.[OH2:51]>>[c:8]1(-[c:37]2[cH:38][n:39][c:40]([NH2:43])[n:41][cH:42]2)[n:9][c:10]([N:22]2[CH:23]([CH3:28])[CH2:24][O:25][CH2:26][CH2:27]2)[c:11]2[n:12][cH:13][n:14]([CH2:17][C:18]([F:19])([F:20])[F:21])[c:15]2[n:16]1