HRID126418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID68471662

1,2,3,4-Tetrahydro-1-oxo-2-(phenylmethyl)-5-isoquinolinecarboxylic acid

C17H15NO3

结构：NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C(F)(F)F)c2)CC1

HCID77242545

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C(F)(F)F)c2)CC1)c1cccc2c1CCN(Cc1ccccc1)C2=O

HCID74428661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f85880a97b7c4627b258f70800dffa17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9](=[O:21])[c:10]2[cH:11][cH:12][cH:13][c:14]([C:18](=[O:19])[OH:20])[c:15]2[CH2:16][CH2:17]1.[CH3:62][N:63]([CH3:64])[CH2:65][CH2:66][CH2:67][N:68]=[C:69]=[N:70][CH2:71][CH3:72].[CH:73]([N:74]([CH2:75][CH3:76])[CH:77]([CH3:78])[CH3:79])([CH3:80])[CH3:81].[Cl:82][CH2:83][Cl:84].[ClH:22].[ClH:61].[NH2:23][CH:24]([CH:25]([CH2:26][NH:27][C:28]1([c:31]2[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]2)[CH2:29][CH2:30]1)[OH:41])[CH2:42][c:43]1[cH:44][c:45]([F:50])[cH:46][c:47]([F:49])[cH:48]1.[OH:51][c:52]1[c:53]2[n:54][n:55][nH:56][c:57]2[cH:58][cH:59][cH:60]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9](=[O:21])[c:10]2[cH:11][cH:12][cH:13][c:14]([C:18](=[O:20])[NH:23][CH:24]([CH:25]([CH2:26][NH:27][C:28]3([c:31]4[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]4)[CH2:29][CH2:30]3)[OH:41])[CH2:42][c:43]3[cH:44][c:45]([F:50])[cH:46][c:47]([F:49])[cH:48]3)[c:15]2[CH2:16][CH2:17]1