HRID932670

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

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+

HCID13821101

未命名化合物

结构：O=C(OCc1ccccc1)N1CC2(CC2)CC1c1ncc(-c2ccc(Br)cc2)[nH]1

HCID66621426

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C

HCID66620752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-952495f03afa423ab9cd9449e2401017
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[BrH:30].[CH2:1]([O:2][C:3](=[O:4])[N:11]1[CH2:12][C:13]2([CH2:14][CH2:15]2)[CH2:16][CH:17]1[c:18]1[nH:19][c:20](-[c:23]2[cH:24][cH:25][c:26]([Br:29])[cH:27][cH:28]2)[cH:21][n:22]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:31][O:32][C:33](=[O:34])[NH:35][CH:36]([C:37](=[O:38])[OH:39])[CH:40]([CH3:41])[CH3:42].[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[CH:67]([N:68]([CH2:69][CH3:70])[CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[Cl:87][CH2:88][Cl:89].[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[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:11]1([C:37]([CH:36]([NH:35][C:33]([O:32][CH3:31])=[O:34])[CH:40]([CH3:41])[CH3:42])=[O:38])[CH2:12][C:13]2([CH2:14][CH2:15]2)[CH2:16][CH:17]1[c:18]1[nH:19][c:20](-[c:23]2[cH:24][cH:25][c:26]([Br:29])[cH:27][cH:28]2)[cH:21][n:22]1