HRID2127085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID409683

(RS)-Valine methyl ester

C6H13NO2

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)NCC(=O)c1ccc(Br)cc1

HCID59611182

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(NC(=O)CN(CC(=O)NCC(=O)c1ccc(Br)cc1)C(=O)OC(C)(C)C)C(C)C

HCID66620286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bf7a26a87fc4e6cb89e6db2067cc4e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:8][c:9]1[cH:10][cH:11][c:12]([C:15]([CH2:16][NH:17][C:18](=[O:19])[CH2:20][N:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29][C:30](=[O:31])[OH:32])=[O:33])[cH:13][cH:14]1.[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:59][O:60][C:61]([CH:62]([NH2:63])[CH:64]([CH3:65])[CH3:66])=[O:67].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[ClH:58].[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>>[Br:8][c:9]1[cH:10][cH:11][c:12]([C:15]([CH2:16][NH:17][C:18](=[O:19])[CH2:20][N:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29][C:30](=[O:31])[NH:63][CH:62]([C:61]([O:60][CH3:59])=[O:67])[CH:64]([CH3:65])[CH3:66])=[O:33])[cH:13][cH:14]1