HRID2340835

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23286

Cyclohexanol, 2-amino-

C6H13NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：O=C(O)c1cc(Br)c(OCC(F)(F)F)nc1C(F)(F)F

HCID86346320

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCCCC1O)c1cc(Br)c(OCC(F)(F)F)nc1C(F)(F)F

HCID86634803

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3a9f0daf7ec4cd0b45bb87d493331a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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