HRID2129154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：O=C(O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)n2cccc12

HCID67247370

未命名化合物

HCID86685458

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OB(O)c2cc(CNC(=O)c3ccc(C4=NOC(c5cc(Cl)cc(Cl)c5)(C(F)(F)F)C4)n4cccc34)ccc21

HCID71576339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7166bcaec762478eb29b32203b7b97a2
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

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