HRID313910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

2 次

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

结构：c1ccc([P+](Cc2cccc3ccccc23)(c2ccccc2)c2ccccc2)cc1

HCID2734114

未命名化合物

HCID4574913

未命名化合物

HCID7172298

tert-Butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate

C14H20N2O3S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2nc(C=Cc3cccc4ccccc34)cs2)CC1

HCID67156182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60714a0bf5e64c108df5a7a1aceb7a0f
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

[CH3:32][C:33]([CH3:34])([O-:35])[CH3:36].[CH:38](=[O:39])[c:40]1[n:41][c:42]([CH:45]2[CH2:46][CH2:47][N:48]([C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[CH2:49][CH2:50]2)[s:43][cH:44]1.[Cl-:1].[Cl-:58].[K+:37].[NH4+:59].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[c:2]1([CH2:12][P+:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[c:2]1([CH:12]=[CH:38][c:40]2[n:41][c:42]([CH:45]3[CH2:46][CH2:47][N:48]([C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[CH2:49][CH2:50]3)[s:43][cH:44]2)[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12