HRID2311608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID152684

2-Methyl-4-(4-aminophenyl)thiazole

C10H10N2S

HCID4641409

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

C10H15N6O+

HCID14349608

1-(2H-1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid

C11H10O4

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2)cs1

HCID59206166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c99b5e53f7464f12b066a28ece51e96a
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

[CH3:1][c:2]1[s:3][cH:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([NH2:11])[cH:12][cH:13]2)[n:6]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:60][C:61]#[N:62].[O:14]1[CH2:15][O:16][c:17]2[c:18]1[cH:19][cH:20][c:21]([C:23]1([C:26](=[O:27])[OH:28])[CH2:24][CH2:25]1)[cH:22]2.[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[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>>[CH3:1][c:2]1[s:3][cH:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([NH:11][C:26]([C:23]3([c:21]4[cH:20][cH:19][c:18]5[c:17]([cH:22]4)[O:16][CH2:15][O:14]5)[CH2:24][CH2:25]3)=[O:27])[cH:12][cH:13]2)[n:6]1