HRID817133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2737566

2-Fluoro-4-(trifluoromethyl)benzylamine

C8H7F4N

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(C(=O)O)cn3)c2CC1

HCID57656258

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(C(=O)NCc4ccc(C(F)(F)F)cc4F)cn3)c2CC1

HCID66707015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa6097a8fd5248448b6e13dfc36554fe
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][CH2:21][c:22]3[n:23][cH:24][c:25]([C:28](=[O:29])[OH:30])[cH:26][cH:27]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[F:64][c:65]1[c:66]([CH2:67][NH2:68])[cH:69][cH:70][c:71]([C:73]([F:74])([F:75])[F:76])[cH:72]1.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH2:82].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][CH2:21][c:22]3[n:23][cH:24][c:25]([C:28](=[O:29])[NH:68][CH2:67][c:66]4[c:65]([F:64])[cH:72][c:71]([C:73]([F:74])([F:75])[F:76])[cH:70][cH:69]4)[cH:26][cH:27]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1