HRID2145650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：CC(CN(CC(=O)O)C(=O)OC(C)(C)C)NC1CCOC1

HCID178457469

未命名化合物

PRODUCTS

生成物

HCID90899929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-616ed69270b24089a13a03cbfbd3e2ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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