HRID290339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5922

Isonicotinic acid

C6H5NO2

HCID6342

Acetonitrile

C2H3N

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+

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(CO)cc2)C(OCc2ccc3ccccc3c2)C1

HCID53699338

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(COC(=O)c3ccncc3)cc2)C(OCc2ccc3ccccc3c2)C1

HCID22128497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-322b1cdfa7a34dbf96293149068ac7c9
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

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