HRID93682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID66601377

1-(1,7-Naphthyridin-2-yl)cyclopropanamine

C11H11N3

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)O)c(OC)cc3OCC(N)=O)cc12

HCID66606017

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccc6ccncc6n5)CC4)c(OC)cc3OCC(N)=O)cc12

HCID53380665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c804b3ed051c49529cbf3d1a99954c54
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

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