HRID157689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID20804982

3-Amino-N-cyclopropyl-2-hydroxyhexanamide

C9H18N2O2

结构：COc1ccc2c(OC3CC(C(=O)O)N(C(=O)OC(C)(C)C)C3)cc(-n3cccn3)nc2c1

HCID178487672

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(=O)C1CC(Oc2cc(-n3cccn3)nc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C)C(O)C(=O)NC1CC1

HCID178449366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89e443d99817408ea50a53b2628e92b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:31](=[O:32])[OH:33])[CH2:10][CH:11]([O:13][c:14]2[cH:15][c:16](-[n:26]3[n:27][cH:28][cH:29][cH:30]3)[n:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1.[CH2:81]([Cl:82])[Cl:83].[CH3:84][N:85]([CH3:86])[CH:87]=[O:88].[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[ClH:67].[NH2:68][CH:69]([CH:70]([C:71](=[O:72])[NH:73][CH:74]1[CH2:75][CH2:76]1)[OH:77])[CH2:78][CH2:79][CH3:80].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:31](=[O:32])[NH:68][CH:69]([CH:70]([C:71](=[O:72])[NH:73][CH:74]2[CH2:75][CH2:76]2)[OH:77])[CH2:78][CH2:79][CH3:80])[CH2:10][CH:11]([O:13][c:14]2[cH:15][c:16](-[n:26]3[n:27][cH:28][cH:29][cH:30]3)[n:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1