HRID2137703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID13821101

未命名化合物

结构：CC(C)(C)OC(=O)N1CC(COC(F)F)CC1c1ncc(-c2ccc(Br)cc2)[nH]1

HCID66620786

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CC(COC(F)F)CC1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C

HCID66620824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9909a0bdd2141a0ae37476ebe248cc8
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

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