HRID298394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8058

n-Hexane

C6H14

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+

HCID21080139

未命名化合物

2 次

结构：C=CC1CC1(NC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1)C(=O)OCC

HCID68747064

未命名化合物

PRODUCTS

生成物

结构：C=CCOCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(Oc2nccc3cc(OC)ccc23)CC1C(=O)NC1(C(=O)OCC)CC1C=C

HCID68749535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-feee1710266a4f8f8974611c2b86fcf6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:114]([O:115][CH2:116][CH3:117])(=[O:118])[CH3:119].[CH2:34]([CH:35]=[CH2:36])[O:37][CH2:38][CH2:39][CH2:40][CH:41]([C:42](=[O:43])[OH:44])[NH:45][C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52].[CH2:3]([CH3:4])[O:5][C:6](=[O:7])[C:8]1([NH:13][C:14](=[O:15])[CH:16]2[NH:17][CH2:18][CH:19]([O:21][c:22]3[n:23][cH:24][cH:25][c:26]4[cH:27][c:28]([O:32][CH3:33])[cH:29][cH:30][c:31]34)[CH2:20]2)[CH:9]([CH:11]=[CH2:12])[CH2:10]1.[CH2:53]([O:54][CH2:55][CH2:56][CH2:57][CH:58]([NH:59][C:60]([O:61][C:62]([CH3:63])([CH3:64])[CH3:65])=[O:66])[C:67]([OH:68])=[O:69])[CH:70]=[CH2:71].[CH3:108][CH2:109][CH2:110][CH2:111][CH2:112][CH3:113].[CH3:96][N:97]1[CH2:98][CH2:99][O:100][CH2:101][CH2:102]1.[ClH:1].[ClH:2].[O:103]=[CH:104][N:105]([CH3:106])[CH3:107].[P-:72]([F:73])([F:74])([F:75])([F:76])([F:77])[F:78].[n:79]1([O:80][C:81]([N:82]([CH3:83])[CH3:84])=[N+:85]([CH3:86])[CH3:87])[c:88]2[n:89][cH:90][cH:91][cH:92][c:93]2[n:94][n:95]1>>[CH2:3]([CH3:4])[O:5][C:6](=[O:7])[C:8]1([NH:13][C:14](=[O:15])[CH:16]2[N:17]([C:42]([CH:41]([CH2:40][CH2:39][CH2:38][O:37][CH2:34][CH:35]=[CH2:36])[NH:45][C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:43])[CH2:18][CH:19]([O:21][c:22]3[n:23][cH:24][cH:25][c:26]4[cH:27][c:28]([O:32][CH3:33])[cH:29][cH:30][c:31]34)[CH2:20]2)[CH:9]([CH:11]=[CH2:12])[CH2:10]1