HRID307707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：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

HCID4641409

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

C10H15N6O+

HCID57750371

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(CCCO)c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1

HCID57750344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb37c0ed8d5c4fd083426ba18328dac2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH2:33][CH2:34][C:35]([C:38](=[O:39])[OH:40])([NH:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:36][CH2:37]1.[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[NH2:49][CH:50]([CH2:51][CH2:52][CH2:53][OH:54])[c:55]1[cH:56][cH:57][c:58]([Cl:61])[cH:59][cH:60]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>>[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH2:33][CH2:34][C:35]([C:38](=[O:39])[NH:49][CH:50]([CH2:51][CH2:52][CH2:53][OH:54])[c:55]2[cH:56][cH:57][c:58]([Cl:61])[cH:59][cH:60]2)([NH:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:36][CH2:37]1