HRID283457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID263

1-Butanol

C4H10O

HCID8471

Triethylamine

C6H15N

HCID92214

1-Methyl-1,2,3,4-tetrahydroisoquinoline

C10H13N

结构：Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C

HCID204104

N-(4-Fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-pyrimidinamine

C22H23FN4

HCID9992376

4-Chloro-N-(4-fluorophenyl)-5,6-dimethylpyrimidin-2-amine

C12H11ClFN3

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID204104

N-(4-Fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-pyrimidinamine

C22H23FN4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e6ede889d4145f481d1c773e38ca729
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

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