HRID89809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

HCID81531

Diisopropylethylamine

C8H19N

HCID3957395

未命名化合物

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1cccc(OC)c1)NC(=O)CNC(=O)OC(C)(C)C

HCID66582630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1dd1d887f0364d07a7d213afcb2a40ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22](=[O:23])[NH:24][CH2:25][C:26](=[O:27])[OH:28].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][CH:7]([NH2:8])[C:9](=[O:10])[O:11][CH2:12][CH3:13])[cH:14][cH:15][cH:16]1.[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:62].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][CH:7]([NH:8][C:26]([CH2:25][NH:24][C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:23])=[O:27])[C:9](=[O:10])[O:11][CH2:12][CH3:13])[cH:14][cH:15][cH:16]1