HRID2127764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

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+

结构：CC(C)C1(C(=O)O)CCC(NC(=O)OC(C)(C)C)C1

HCID23533517

未命名化合物

HCID59833569

未命名化合物

PRODUCTS

生成物

结构：CC(C)C1(C(=O)N2CC=C(c3cc(C(F)(F)F)ccn3)CC2)CCC(NC(=O)OC(C)(C)C)C1

HCID72573873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ee4d157a09445e998ee070e51ae9642
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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