HRID2327732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

5 次

HCID9886

Hexafluorophosphate ion

F6P-

HCID31374

Dimethylacetamide

C4H9NO

HCID4198035

1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid

C11H19NO4

HCID4641409

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

C10H15N6O+

结构：Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

HCID24878015

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1(C)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

HCID57991144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2833599d862b4c91929ae106acba038b
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:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[N:39]1[C:40]([C:44](=[O:45])[OH:46])([CH3:47])[CH2:41][CH2:42][CH2:43]1.[CH3:72][C:73]([N:74]([CH3:75])[CH3:76])=[O:77].[ClH:1].[ClH:2].[ClH:3].[ClH:4].[ClH:5].[NH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([NH:19][c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][CH2:28][O:29][CH2:30][CH2:31]4)[cH:24][cH:25]3)[n:16][cH:17][cH:18]2)[cH:11][cH:12]1.[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[NH:6]([c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([NH:19][c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][CH2:28][O:29][CH2:30][CH2:31]4)[cH:24][cH:25]3)[n:16][cH:17][cH:18]2)[cH:11][cH:12]1)[C:44]([C:40]1([CH3:47])[N:39]([C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:38])[CH2:43][CH2:42][CH2:41]1)=[O:45]