HRID1126907

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID72972

4-Isopropoxybenzoic acid

C10H12O3

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID46738005

2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C13H20BNO2

PRODUCTS

生成物

结构：Cc1c(NC(=O)c2ccc(OC(C)C)cc2)cccc1B1OC(C)(C)C(C)(C)O1

HCID57786807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69833df9304a4ff28fc58b5df04c9d7b
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

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