HRID1555983

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

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+

HCID21085871

4-(1,3-Oxazol-2-yl)benzoic acid

C10H7NO3

结构：CCc1cccc(CNCC(O)C(N)Cc2cc(F)cc(F)c2)c1

HCID21865731

未命名化合物

PRODUCTS

生成物

结构：CCc1cccc(CNCC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2ccc(-c3ncco3)cc2)c1

HCID21086796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-042acd2f34274208979ff55b25def847
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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