HRID2149648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

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+

HCID11105409

1-(pyridin-2-yl)cyclopropanamine

C8H10N2

结构：COC(=O)c1c(-c2ccc(F)cc2)oc2ncc(-c3cc(C(=O)O)ccc3C)cc12

HCID67217556

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(-c2ccc(F)cc2)oc2ncc(-c3cc(C(=O)NC4(c5ccccn5)CC4)ccc3C)cc12

HCID67217832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1539c048be64625a0b872372988d74e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:64].[ClH:65].[F:34][c:35]1[cH:36][cH:37][c:38](-[c:41]2[c:42]([C:60](=[O:61])[O:62][CH3:63])[c:43]3[c:44]([n:45][cH:46][c:47](-[c:49]4[cH:50][c:51]([C:52](=[O:53])[OH:54])[cH:55][cH:56][c:57]4[CH3:58])[cH:48]3)[o:59]2)[cH:39][cH:40]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1.[n:66]1[c:67]([C:72]2([NH2:75])[CH2:73][CH2:74]2)[cH:68][cH:69][cH:70][cH:71]1>>[F:34][c:35]1[cH:36][cH:37][c:38](-[c:41]2[c:42]([C:60](=[O:61])[O:62][CH3:63])[c:43]3[c:44]([n:45][cH:46][c:47](-[c:49]4[cH:50][c:51]([C:52](=[O:54])[NH:75][C:72]5([c:67]6[n:66][cH:71][cH:70][cH:69][cH:68]6)[CH2:73][CH2:74]5)[cH:55][cH:56][c:57]4[CH3:58])[cH:48]3)[o:59]2)[cH:39][cH:40]1