HRID286266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID2758352

4,4-difluoropiperidine

C5H9F2N

结构：CC(C)N1CCC(Oc2ccc3cc(C(=O)O)sc3c2)CC1

HCID68727749

6-[[1-(1-Methylethyl)-4-piperidinyl]oxy]benzo[b]thiophene-2-carboxylic acid

C17H21NO3S

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCC(F)(F)CC4)sc3c2)CC1

HCID68745278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-893513e53dc04c3b8beb7a4cd716377e
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

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