HRID1559423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID12327020

未命名化合物

HCID14116709

2-Oxo-2,3-dihydro-1,3-benzothiazole-6-carboxylic acid

C8H5NO3S

PRODUCTS

生成物

结构：O=C(c1ccc2[nH]c(=O)sc2c1)N1CCCC2c3ccccc3CCC21

HCID67223289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95b1d044bc6d42f989cfa66f4580e6c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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