HRID214473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID345823

N1,N1-Dimethylcyclohexane-1,4-diamine

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(C1CCCCC1)CC(F)(F)C(=O)N2C

HCID25253680

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCC(N(C)C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CC(F)(F)C(=O)N2C

HCID25254158

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38152406e4674de3b9a38e65caafdd85
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

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