HRID148647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7012

Benzeneacetic acid, .alpha.-ethyl-

C10H12O2

HCID7192

2-Amino-6-ethoxybenzothiazole

C9H10N2OS

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：CCOc1ccc2nc(NC(=O)C(CC)c3ccccc3)sc2c1

HCID4477449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-067ec14eb44b4ccf874c6710548375f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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