HRID149625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

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+

HCID2777907

O-tert-butylhydroxylamine

C4H11NO

结构：COC(=O)C1(C)CN(C(=O)OC(C)(C)C)CCC1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1

HCID68817254

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)ONC(=O)C1(C)CN(C(=O)OC(C)(C)C)CCC1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1

HCID87587826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51056a5294fc44b1832f1e543885e785
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:67]([CH3:68])([CH3:69])([CH3:70])[O:71][NH2:72].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]2[C:20]([C:32](=[O:33])[O:34][CH3:35])([CH3:36])[CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]2)[cH:13][cH:14]1.[CH2:87]1[O:88][CH2:89][CH2:90][CH2:91]1.[CH3:78][CH2:79][N:80]([CH2:81][CH3:82])[CH2:83][CH3:84].[CH3:85][OH:86].[ClH:66].[Na+:38].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH-:37].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][P+:48]([N:49]([CH3:50])[CH3:51])([N:52]([CH3:53])[CH3:54])[N:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]2[C:20]([C:32](=[O:33])[NH:72][O:71][C:67]([CH3:68])([CH3:69])[CH3:70])([CH3:36])[CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]2)[cH:13][cH:14]1