HRID824229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID11205

Carbon tetrabromide

CBr4

HCID11776

Triphenylphosphine

C18H15P

HCID81531

Diisopropylethylamine

C8H19N

HCID20132751

Methyl azetidine-3-carboxylate

C5H9NO2

结构：CC(C)Cc1ccc(-c2nc(-c3ccc(CO)nc3)no2)cc1F

HCID68522027

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CN(Cc2ccc(-c3noc(-c4ccc(CC(C)C)c(F)c4)n3)cn2)C1

HCID68523745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b9e32ff6ac149a3ac0d07c0c0e85b1d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:25]([Br:26])([Br:27])([Br:28])[Br:29].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:72][CH2:73][Cl:74].[ClH:49].[F:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][cH:19][c:20]([CH2:23][OH:24])[n:21][cH:22]3)[n:15][o:16]2)[cH:5][cH:6][c:7]1[CH2:8][CH:9]([CH3:10])[CH3:11].[NH:50]1[CH2:51][CH:52]([C:54](=[O:55])[O:56][CH3:57])[CH2:53]1.[Na+:67].[OH2:75].[OH:68][C:69](=[O:70])[O-:71].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[F:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][cH:19][c:20]([CH2:23][N:50]4[CH2:51][CH:52]([C:54](=[O:55])[O:56][CH3:57])[CH2:53]4)[n:21][cH:22]3)[n:15][o:16]2)[cH:5][cH:6][c:7]1[CH2:8][CH:9]([CH3:10])[CH3:11]