HRID189156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID541730

1-propylpiperidin-4-amine

C8H18N2

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)CCC(=O)N2C

HCID42610240

未命名化合物

PRODUCTS

生成物

结构：CCCN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)N(C3CCCC3)CCC(=O)N4C)c(OC)c2)CC1

HCID68683618

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebbfdb683bcf426baa071d6000fca7d7
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

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