HRID1236703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

HCID10977812

4-(4-PROPYL-1-PIPERAZINYL)BENZOIC ACID

C14H20N2O2

HCID178446642

未命名化合物

PRODUCTS

生成物

结构：CCCN1CCN(c2ccc(C(=O)NC(CC(C)C)C(=O)N3CCC4OCC(O)C43)cc2)CC1

HCID178456339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0418f55e6e68492b9c431d21d20854e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:43]([CH2:44][CH3:45])[N:46]1[CH2:47][CH2:48][N:49]([c:52]2[cH:53][cH:54][c:55]([C:56](=[O:57])[OH:58])[cH:59][cH:60]2)[CH2:50][CH2:51]1.[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[ClH:61].[NH2:62][CH:63]([C:64](=[O:65])[N:66]1[CH:67]2[CH:68]([CH2:69][CH2:70]1)[O:71][CH2:72][CH:73]2[OH:74])[CH2:75][CH:76]([CH3:77])[CH3:78].[OH2:32].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1.[P-:8]([F:9])([F:10])([F:11])([F:12])([F:13])[F:14].[n:15]1([O:16][C:17]([N:18]([CH3:19])[CH3:20])=[N+:21]([CH3:22])[CH3:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[CH2:43]([CH2:44][CH3:45])[N:46]1[CH2:47][CH2:48][N:49]([c:52]2[cH:53][cH:54][c:55]([C:56](=[O:58])[NH:62][CH:63]([C:64](=[O:65])[N:66]3[CH:67]4[CH:68]([CH2:69][CH2:70]3)[O:71][CH2:72][CH:73]4[OH:74])[CH2:75][CH:76]([CH3:77])[CH3:78])[cH:59][cH:60]2)[CH2:50][CH2:51]1