HRID1204012

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

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：Cc1ccc(C(=O)O)cc1-c1cc(F)n2nc(-c3ccc(F)cc3)c(C(=O)N(C)C(=O)OC(C)(C)C)c2c1

HCID59233833

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC2(c3ccccn3)CC2)cc1-c1cc(F)n2nc(-c3ccc(F)cc3)c(C(=O)N(C)C(=O)OC(C)(C)C)c2c1

HCID59233755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7db59242b892406f91935f72ceb9d5dd
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

[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]([C:30](=[O:31])[c:32]1[c:33](-[c:52]2[cH:53][cH:54][c:55]([F:58])[cH:56][cH:57]2)[n:34][n:35]2[c:36]1[cH:37][c:38](-[c:42]1[cH:43][c:44]([C:45](=[O:46])[OH:47])[cH:48][cH:49][c:50]1[CH3:51])[cH:39][c:40]2[F:41])[CH3:59].[CH:13]([N:14]([CH:15]([CH3:16])[CH3:17])[CH2:18][CH3:19])([CH3:20])[CH3:21].[ClH:1].[ClH:2].[O:84]=[CH:85][N:86]([CH3:87])[CH3:88].[P-:60]([F:61])([F:62])([F:63])([F:64])([F:65])[F:66].[n:3]1[c:4]([C:9]2([NH2:12])[CH2:10][CH2:11]2)[cH:5][cH:6][cH:7][cH:8]1.[n:67]1([O:68][C:69]([N:70]([CH3:71])[CH3:72])=[N+:73]([CH3:74])[CH3:75])[c:76]2[n:77][cH:78][cH:79][cH:80][c:81]2[n:82][n:83]1>>[n:3]1[c:4]([C:9]2([NH:12][C:45]([c:44]3[cH:43][c:42](-[c:38]4[cH:37][c:36]5[c:32]([C:30]([N:29]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH3:59])=[O:31])[c:33](-[c:52]6[cH:53][cH:54][c:55]([F:58])[cH:56][cH:57]6)[n:34][n:35]5[c:40]([F:41])[cH:39]4)[c:50]([CH3:51])[cH:49][cH:48]3)=[O:46])[CH2:10][CH2:11]2)[cH:5][cH:6][cH:7][cH:8]1