HRID1560184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

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+

HCID17750824

3-Chloro-2,4-difluorobenzeneacetic acid

C8H5ClF2O2

HCID66823551

3-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C14H14N6

PRODUCTS

生成物

结构：Cn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2ccc(F)c(Cl)c2F)c2c(N)ncnc21

HCID66823756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac8c583e1c0d437c96ffd31994ec1a84
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

[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[Cl:22][c:23]1[c:24]([F:34])[c:25]([CH2:30][C:31](=[O:32])[OH:33])[cH:26][cH:27][c:28]1[F:29].[ClH:21].[NH:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[n:11][n:12]([CH3:20])[c:13]4[n:14][cH:15][n:16][c:17]([NH2:19])[c:18]34)[cH:7][cH:8][c:9]21.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[N:1]1([C:31]([CH2:30][c:25]2[c:24]([F:34])[c:23]([Cl:22])[c:28]([F:29])[cH:27][cH:26]2)=[O:32])[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[n:11][n:12]([CH3:20])[c:13]4[n:14][cH:15][n:16][c:17]([NH2:19])[c:18]34)[cH:7][cH:8][c:9]21