HRID98318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID15940811

3-(Pyridin-4-yl)-3,9-diazaspiro[5.5]undecane

C14H21N3

HCID45074002

2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid

C15H19NO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2cccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)c2C1

HCID59483857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4985aee85b6946078d6ec61aaba75701
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

[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH2:35][c:36]2[c:37]([C:44](=[O:45])[OH:46])[cH:38][cH:39][cH:40][c:41]2[CH2:42][CH2:43]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:74][N:75]1[CH2:76][CH2:77][O:78][CH2:79][CH2:80]1.[ClH:1].[ClH:2].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][C:12]3([CH2:13][CH2:14]2)[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[cH:7][cH:8]1.[n:54]1([O:55][P+:56]([N:57]([CH3:58])[CH3:59])([N:60]([CH3:61])[CH3:62])[N:63]([CH3:64])[CH3:65])[c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[n:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][C:12]3([CH2:13][CH2:14]2)[CH2:15][CH2:16][N:17]([C:44]([c:37]2[c:36]4[c:41]([cH:40][cH:39][cH:38]2)[CH2:42][CH2:43][N:34]([C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[CH2:35]4)=[O:45])[CH2:18][CH2:19]3)[cH:7][cH:8]1