HRID198772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID9886

Hexafluorophosphate ion

F6P-

HCID33944

N-(2-Aminoethyl)piperidine

C7H16N2

HCID81531

Diisopropylethylamine

C8H19N

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(C(C)C)CCC(=O)N2C

HCID68681386

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NCCN2CCCCC2)ccc1Nc1ncc2c(n1)N(C(C)C)CCC(=O)N2C

HCID68682402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bc8a380a55b4500b6c56decd9778d71
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

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