HRID195181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID19660

Carbonate

CO3-2

HCID33462

2-Amino-6-benzothiazolol

C7H6N2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID392871

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

C11H19NO4

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nc3ccc(O)cc3s2)CC1

HCID57980837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6db742e347a142219aa6fa372f69944a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:15])[OH:16])[CH2:12][CH2:13]1.[C:61](=[O:62])([O-:63])[O-:64].[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[NH2:50][c:51]1[s:52][c:53]2[c:54]([n:55]1)[cH:56][cH:57][c:58]([OH:60])[cH:59]2.[Na+:65].[Na+:66].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[n:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:16])[NH:50][c:51]2[s:52][c:53]3[c:54]([n:55]2)[cH:56][cH:57][c:58]([OH:60])[cH:59]3)[CH2:12][CH2:13]1