HRID1204287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：O=C(O)c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2

HCID58399186

未命名化合物

结构：CN(C)S(=O)(=O)n1ccnc1CNCc1nccn1S(=O)(=O)N(C)C

HCID67285794

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)n1ccnc1CN(Cc1nccn1S(=O)(=O)N(C)C)C(=O)c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2

HCID67501556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-128ca35c43dd4e92bfc434ef8e92c479
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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