HRID1239584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CC(C)(C)OC(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1

HCID1268225

1-(tert-Butoxycarbonyl)-4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylic acid

C16H28N2O6

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

HCID17039435

3-Amino-3-(4-chlorophenyl)propan-1-ol

C9H12ClNO

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1

HCID66674000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-88f543b12f0449ba9404e26e22a609da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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