HRID197244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID17750508

2-Methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C12H18BNO3

结构：Cc1nc(N)nc2c1C(=NOCC1COC(C)(C)O1)NC(c1ccc(F)cc1Br)C2

HCID178433343

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(-c2cc(F)ccc2C2Cc3nc(N)nc(C)c3C(=NOCC3COC(C)(C)O3)N2)n1

HCID178489714

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfa2127b0c554d2b946a1e743e63af4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:48](=[O:49])([O-:50])[O-:51].[CH3:1][C:2]1([CH3:30])[O:3][CH2:4][CH:5]([CH2:7][O:8][N:9]=[C:10]2[NH:11][CH:12]([c:22]3[c:23]([Br:29])[cH:24][c:25]([F:28])[cH:26][cH:27]3)[CH2:13][c:14]3[n:15][c:16]([NH2:21])[n:17][c:18]([CH3:20])[c:19]32)[O:6]1.[CH3:31][O:32][c:33]1[n:34][c:35]([B:39]2[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]2)[cH:36][cH:37][cH:38]1.[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[F:54][C:55]([F:56])([F:57])[C:58]([OH:59])=[O:60].[Na+:52].[Na+:53]>>[CH3:1][C:2]1([CH3:30])[O:3][CH2:4][CH:5]([CH2:7][O:8][N:9]=[C:10]2[NH:11][CH:12]([c:22]3[c:23](-[c:35]4[n:34][c:33]([O:32][CH3:31])[cH:38][cH:37][cH:36]4)[cH:24][c:25]([F:28])[cH:26][cH:27]3)[CH2:13][c:14]3[n:15][c:16]([NH2:21])[n:17][c:18]([CH3:20])[c:19]32)[O:6]1