HRID1119829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7915

Isopropyl acetate

C5H10O2

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID29877

3-Aminophenyl dimethylcarbamate

C9H12N2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：CN(C)CCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1

HCID67036857

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCC1(C(=O)Nc2cccc(OC(=O)N(C)C)c2)CCN(C(=O)OC(C)(C)C)CC1

HCID67036855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf6a739c27cf4d47a56250b945effee3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([C:14](=[O:15])[OH:16])([CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[CH2:12][CH2:13]1.[C:68]([O:69][CH:70]([CH3:71])[CH3:72])(=[O:73])[CH3:74].[CH3:55][N:56]([C:57]([O:58][c:59]1[cH:60][c:61]([NH2:65])[cH:62][cH:63][cH:64]1)=[O:66])[CH3:67].[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[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][CH2:10][C:11]([C:14](=[O:15])[NH:65][c:61]2[cH:60][c:59]([O:58][C:57]([N:56]([CH3:55])[CH3:67])=[O:66])[cH:64][cH:63][cH:62]2)([CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[CH2:12][CH2:13]1