HRID114108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2758519

3-(Dimethylamino)pyrrolidine

C6H14N2

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)-c1sc(-c3ncnn3-c3ccc(F)cc3F)cc1CCO2

HCID57900260

未命名化合物

PRODUCTS

生成物

结构：CN(C)C1CCN(C(=O)c2ccc3c(c2)-c2sc(-c4ncnn4-c4ccc(F)cc4F)cc2CCO3)C1

HCID76635996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d6a6386c2b64ab08a4d0eacbbb650cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:64][N:65]([CH:66]1[CH2:67][NH:68][CH2:69][CH2:70]1)[CH3:71].[CH3:77][CH2:78][O:79][C:80]([CH3:81])=[O:82].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[F:1][c:2]1[c:3](-[n:9]2[n:10][cH:11][n:12][c:13]2-[c:14]2[cH:15][c:16]3[c:22]([s:23]2)-[c:21]2[c:20]([cH:27][cH:26][c:25]([C:28](=[O:29])[OH:30])[cH:24]2)[O:19][CH2:18][CH2:17]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[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>>[F:1][c:2]1[c:3](-[n:9]2[n:10][cH:11][n:12][c:13]2-[c:14]2[cH:15][c:16]3[c:22]([s:23]2)-[c:21]2[c:20]([cH:27][cH:26][c:25]([C:28](=[O:29])[N:68]4[CH2:67][CH:66]([N:65]([CH3:64])[CH3:71])[CH2:70][CH2:69]4)[cH:24]2)[O:19][CH2:18][CH2:17]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1