HRID663640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID3860971

1-methylpiperidin-3-amine

C6H14N2

HCID4641409

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

C10H15N6O+

结构：COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C

HCID42610787

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCCN(C)C2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C

HCID68683570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43bb43222ef84f79afd83ebf6e2a3491
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH:25]1([N:30]2[c:31]3[n:32][c:33]([NH:45][c:46]4[c:47]([O:55][CH3:56])[cH:48][c:49]([C:50](=[O:51])[OH:52])[cH:53][cH:54]4)[n:34][cH:35][c:36]3[N:37]([CH3:44])[C:38](=[O:43])[C:39]([CH3:41])([CH3:42])[CH2:40]2)[CH2:26][CH2:27][CH2:28][CH2:29]1.[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[ClH:66].[ClH:67].[NH2:68][CH:69]1[CH2:70][N:71]([CH3:75])[CH2:72][CH2:73][CH2:74]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH:25]1([N:30]2[c:31]3[n:32][c:33]([NH:45][c:46]4[c:47]([O:55][CH3:56])[cH:48][c:49]([C:50](=[O:52])[NH:68][CH:69]5[CH2:70][N:71]([CH3:75])[CH2:72][CH2:73][CH2:74]5)[cH:53][cH:54]4)[n:34][cH:35][c:36]3[N:37]([CH3:44])[C:38](=[O:43])[C:39]([CH3:41])([CH3:42])[CH2:40]2)[CH2:26][CH2:27][CH2:28][CH2:29]1