HRID804214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID585053

1,3-Benzothiazole-2-carboxylic acid

C8H5NO2S

HCID4455752

[Bis(dimethylamino)methylidene]chloranium

C5H12ClN2+

结构：CC(C)CNC1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID178448811

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(C(=O)c1nc2ccccc2s1)C1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID178449419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-166794ff3129460f8b19ebc001471459
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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