HRID2134454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)C(NC(C(NC(=O)c1cnccn1)C1CCCCC1)C(F)(F)F)C(=O)O

HCID66704835

未命名化合物

HCID68700753

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1C2CCCC2CN1C(=O)C(NC(C(NC(=O)c1cnccn1)C1CCCCC1)C(F)(F)F)C(C)(C)C

HCID178468416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-870d3530d5f8432cb8efe935ba952679
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

[CH3:45][N:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[CH:1]1([CH:7]([CH:8]([C:9]([F:10])([F:11])[F:12])[NH:13][CH:14]([C:15](=[O:16])[OH:17])[C:18]([CH3:19])([CH3:20])[CH3:21])[NH:22][C:23](=[O:24])[c:25]2[n:26][cH:27][cH:28][n:29][cH:30]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:32]1([C:40](=[O:41])[O:42][CH2:43][CH3:44])[NH:33][CH2:34][CH:35]2[CH:36]1[CH2:37][CH2:38][CH2:39]2.[ClH:31].[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1.[P-:52]([F:53])([F:54])([F:55])([F:56])([F:57])[F:58].[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[n:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[CH:1]1([CH:7]([CH:8]([C:9]([F:10])([F:11])[F:12])[NH:13][CH:14]([C:15](=[O:16])[N:33]2[CH:32]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH:36]3[CH:35]([CH2:34]2)[CH2:39][CH2:38][CH2:37]3)[C:18]([CH3:19])([CH3:20])[CH3:21])[NH:22][C:23](=[O:24])[c:25]2[n:26][cH:27][cH:28][n:29][cH:30]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1