HRID2333270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID13530069

未命名化合物

HCID18380543

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)CC(NC(C)C)C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1

HCID9823213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6334bcf81a91468b9ca4788d7e0a8d0b
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

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