HRID954735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID6228

N,N-Dimethylformamide

C3H7NO

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：CC(C)(C)c1nc2cc(S(=O)(=O)n3ccc(C(=O)O)c3)ccc2n1CC1CCC(F)CC1

HCID57937338

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc2cc(S(=O)(=O)n3ccc(C(=O)NCCO)c3)ccc2n1CC1CCC(F)CC1

HCID57937331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ed45dcde00f4c60b862c802e841b838
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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