HRID1238151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

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+

HCID13889821

2-[(tert-Butoxycarbonyl)amino]dec-9-enoic acid

C15H27NO4

结构：C=CCSC1(c2ccc(-c3ccccc3)cc2)CNC(C(=O)OC)C1

HCID67030849

未命名化合物

PRODUCTS

生成物

结构：C=CCCCCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(SCC=C)(c2ccc(-c3ccccc3)cc2)CC1C(=O)OC

HCID178443509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69a6d292fe8745dda55854aa294848a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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