HRID303603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID11205

Carbon tetrabromide

CBr4

HCID11776

Triphenylphosphine

C18H15P

HCID81531

Diisopropylethylamine

C8H19N

HCID20132751

Methyl azetidine-3-carboxylate

C5H9NO2

结构：CCc1cc(CO)sc1-c1noc(-c2ccc(Oc3ccccc3F)cc2)n1

HCID68521923

4-Ethyl-5-[5-[4-(2-fluorophenoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2-thiophenemethanol

C21H17FN2O3S

PRODUCTS

生成物

结构：CCc1cc(CN2CC(C(=O)OC)C2)sc1-c1noc(-c2ccc(Oc3ccccc3F)cc2)n1

HCID68525364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f0d6429598643188039f02c3fa97a8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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