HRID838061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID16414180

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

C9H14BNO3

结构：CC(C)(C)OC(=O)NC(Cc1ccc(-c2cc(OC(c3ccc(Br)cc3)C(F)(F)F)nc(N)n2)cc1)C(=O)O

HCID178453162

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(-c2cc(OC(c3ccc(-c4cnoc4)cc3)C(F)(F)F)nc(N)n2)cc1)C(=O)O

HCID178453165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e3b65b096bc44bbb5e5bb0f43a2faa9
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:40][C:41]1([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46][B:47]([c:48]2[cH:49][n:50][o:51][cH:52]2)[O:53]1.[CH3:54][C:55]#[N:56].[NH2:1][c:2]1[n:3][c:4]([O:27][CH:28]([C:29]([F:30])([F:31])[F:32])[c:33]2[cH:34][cH:35][c:36]([Br:39])[cH:37][cH:38]2)[cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][CH:15]([C:16](=[O:17])[OH:18])[NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:12][cH:13]2)[n:7]1.[Na+:57].[Na+:58].[O-:59][C:60](=[O:61])[O-:62].[OH2:63]>>[NH2:1][c:2]1[n:3][c:4]([O:27][CH:28]([C:29]([F:30])([F:31])[F:32])[c:33]2[cH:34][cH:35][c:36](-[c:48]3[cH:49][n:50][o:51][cH:52]3)[cH:37][cH:38]2)[cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][CH:15]([C:16](=[O:17])[OH:18])[NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:12][cH:13]2)[n:7]1