HRID2329589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

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+

HCID53401513

[6-(Trifluoromethyl)pyridin-2-yl]acetic acid

C8H6F3NO2

HCID66823616

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2ccc3c(c2F)CCN3C(=O)Cc2cccc(C(F)(F)F)n2)c2c(N)ncnc21

HCID53469060

1-[5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydro-1H-indol-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C23H18F4N6O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-205275341ceb4f2194f9b0142264cb7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:76][OH:77].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl:78][CH2:79][Cl:80].[ClH:1].[ClH:2].[F:3][c:4]1[c:5]2[c:9]([cH:10][cH:11][c:12]1-[c:13]1[cH:14][n:15]([CH3:23])[c:16]3[n:17][cH:18][n:19][c:20]([NH2:22])[c:21]13)[NH:8][CH2:7][CH2:6]2.[F:57][C:58]([c:59]1[cH:60][cH:61][cH:62][c:63]([CH2:65][C:66](=[O:67])[OH:68])[n:64]1)([F:69])[F:70].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:81].[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>>[F:3][c:4]1[c:5]2[c:9]([cH:10][cH:11][c:12]1-[c:13]1[cH:14][n:15]([CH3:23])[c:16]3[n:17][cH:18][n:19][c:20]([NH2:22])[c:21]13)[N:8]([C:66]([CH2:65][c:63]1[cH:62][cH:61][cH:60][c:59]([C:58]([F:57])([F:69])[F:70])[n:64]1)=[O:67])[CH2:7][CH2:6]2