HRID94847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID82571

6-Quinolinecarboxylic acid

C10H7NO2

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID23130639

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(Oc2cccc(OCc3ccccc3)c2)s1)c1ccc2ncccc2c1

HCID67119634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f256ee59f72e4a029dc7fad70f9ed55a
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)[O:8][c:9]1[cH:10][c:11]([O:12][c:13]2[cH:14][cH:15][c:16]([CH2:18][NH2:19])[s:17]2)[cH:20][cH:21][cH:22]1.[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[O:70]1[CH2:71][CH2:72][CH2:73][CH2:74]1.[OH2:75].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:23]1[cH:24][cH:25][cH:26][c:27]2[cH:28][c:29]([C:33](=[O:34])[OH:35])[cH:30][cH:31][c:32]12.[n:43]1([O:44][P+:45]([N:46]([CH3:47])[CH3:48])([N:49]([CH3:50])[CH3:51])[N:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([O:12][c:13]2[cH:14][cH:15][c:16]([CH2:18][NH:19][C:33]([c:29]3[cH:28][c:27]4[cH:26][cH:25][cH:24][n:23][c:32]4[cH:31][cH:30]3)=[O:34])[s:17]2)[cH:20][cH:21][cH:22]1