HRID100145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

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(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(C(=O)O)C1

HCID11255979

未命名化合物

HCID15235179

3-Oxa-8-azabicyclo[3.2.1]octane

C6H11NO

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(C(=O)N2C3CCC2COC3)C1

HCID77890860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cb8ae71004b400788ac05335bdd5f89
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:21](=[O:22])[OH:23])[CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]1.[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[CH:25]12[CH2:26][O:27][CH2:28][CH:29]([CH2:30][CH2:31]1)[NH:32]2.[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[ClH:24].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:77].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:21](=[O:23])[N:32]2[CH:25]3[CH2:26][O:27][CH2:28][CH:29]2[CH2:30][CH2:31]3)[CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]1