HRID677167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

HCID566324

1-(1-Methyl-4-piperidinyl)piperazine

C10H21N3

结构：CCc1ccc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)O)cc1CC

HCID68579989

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc1CC

HCID59260987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f1e9b309f454d4797237deaaaf087f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[B-:1]([F:2])([F:3])([F:4])[F:5].[CH2:46]([CH3:47])[c:48]1[cH:49][c:50]([CH2:56][CH:57]([C:58](=[O:59])[OH:60])[NH:61][C:62](=[O:63])[N:64]2[CH2:65][CH2:66][CH:67]([N:70]3[C:71](=[O:80])[NH:72][c:73]4[cH:74][cH:75][cH:76][cH:77][c:78]4[CH2:79]3)[CH2:68][CH2:69]2)[cH:51][cH:52][c:53]1[CH2:54][CH3:55].[CH2:81]1[O:82][CH2:83][CH2:84][CH2:85]1.[CH3:33][N:34]1[CH2:35][CH2:36][CH:37]([N:40]2[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[CH2:38][CH2:39]1.[CH3:86][CH2:87][N:88]([CH2:89][CH3:90])[CH2:91][CH3:92].[OH:23][n:24]1[c:25]2[c:26]([cH:27][cH:28][cH:29][cH:30]2)[n:31][n:32]1.[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[CH3:33][N:34]1[CH2:35][CH2:36][CH:37]([N:40]2[CH2:41][CH2:42][N:43]([C:58]([CH:57]([CH2:56][c:50]3[cH:49][c:48]([CH2:46][CH3:47])[c:53]([CH2:54][CH3:55])[cH:52][cH:51]3)[NH:61][C:62](=[O:63])[N:64]3[CH2:65][CH2:66][CH:67]([N:70]4[C:71](=[O:80])[NH:72][c:73]5[cH:74][cH:75][cH:76][cH:77][c:78]5[CH2:79]4)[CH2:68][CH2:69]3)=[O:59])[CH2:44][CH2:45]2)[CH2:38][CH2:39]1