HRID95566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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+

HCID11105409

1-(pyridin-2-yl)cyclopropanamine

C8H10N2

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(c5ccccn5)CC4)c(OC)cc3OCC(N)=O)cc12

HCID59275469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf9ff475a90e42f9adce5a03a460a86b
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

[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:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:37]1[c:38]([C:43]2([NH2:46])[CH2:44][CH2:45]2)[cH:39][cH:40][cH:41][cH:42]1.[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]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:11])[NH:46][C:43]2([c:38]3[n:37][cH:42][cH:41][cH:40][cH:39]3)[CH2:44][CH2:45]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]