HRID2327291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID9886

Hexafluorophosphate ion

F6P-

HCID549381

4-Hydroxyproline methyl ester

C6H11NO3

HCID4641409

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

C10H15N6O+

HCID22250222

未命名化合物

PRODUCTS

生成物

结构：C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(O)CC1C(=O)OC

HCID76700089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6702f8f92f4e42fe9606e732ae3fd049
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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