HRID288676

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-

HCID85575

1-(4-Methoxyphenyl)cyclopropane-1-carboxylic acid

C11H12O3

HCID2760966

2-tert-Butyl-1H-indol-5-amine

C12H16N2

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1

HCID24763143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d5a81e9d2cf4cbe8873de5d19ef44ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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