HRID106534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

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+

HCID13821101

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1cccc(-c2ccc(Cl)cc2)c1

HCID66620530

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CCCC1C(=O)Nc1cccc(-c2ccc(Cl)cc2)c1)C(C)C

HCID66621197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ff0df8f6b6e4bdea3001fdc87f067cc
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]([O:2][C:3](=[O:4])[N:8]1[CH:9]([C:13]([NH:14][c:15]2[cH:16][c:17](-[c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[cH:18][cH:19][cH:20]2)=[O:28])[CH2:10][CH2:11][CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[CH3:30][O:31][C:32](=[O:33])[NH:34][CH:35]([C:36](=[O:37])[OH:38])[CH:39]([CH3:40])[CH3:41].[CH3:75][OH:76].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[CH:66]([N:67]([CH2:68][CH3:69])[CH:70]([CH3:71])[CH3:72])([CH3:73])[CH3:74].[ClH:29].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[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>>[N:8]1([C:36]([CH:35]([NH:34][C:32]([O:31][CH3:30])=[O:33])[CH:39]([CH3:40])[CH3:41])=[O:37])[CH:9]([C:13]([NH:14][c:15]2[cH:16][c:17](-[c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[cH:18][cH:19][cH:20]2)=[O:28])[CH2:10][CH2:11][CH2:12]1