HRID1209020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID59541

(Phenylthio)acetic acid

C8H8O2S

HCID739193

STK362959

C14H21NO2

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

PRODUCTS

产物

反应SMILES：COc1ccc(C2(CNC(=O)CSc3ccccc3)CCCC2)cc1OC

HCID57884153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-949ddd9546ff4b02ad19ce57fa497648
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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