HRID1566439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID20151477

4-Amino-2,5-difluorobenzoic acid

C7H5F2NO2

HCID28064766

1-{1-[(Pyrrolidin-1-yl)methyl]cyclopropyl}methanamine

C9H18N2

PRODUCTS

生成物

结构：Nc1cc(F)c(C(=O)NCC2(CN3CCCC3)CC2)cc1F

HCID68681610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46eefff1aa9d4b1680ad9a3dd1a8a932
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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