HRID1228755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID17850645

Piperazine, 1-[4-(1-naphthalenyl)butyl]-

C18H24N2

HCID18329082

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(O)(C(C(=O)O)c2ccc(F)cc2)CC1

HCID22318630

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(O)(C(C(=O)N2CCN(CCCCc3cccc4ccccc34)CC2)c2ccc(F)cc2)CC1

HCID17850663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae1d3c4b220f43d9a967aa6832674521
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([OH:14])([CH:15]([c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[C:23](=[O:24])[OH:25])[CH2:12][CH2:13]1.[CH3:49][NH:50][CH:51]([NH:52][CH3:53])[CH2:54][CH2:55][N:56]=[C:57]=[N:58][CH2:59][CH3:60].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[CH3:83][CH2:84][N:85]([CH2:86][CH3:87])[CH2:88][CH3:89].[ClH:26].[ClH:27].[ClH:48].[OH2:61].[OH:62][n:63]1[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1.[c:28]1([CH2:38][CH2:39][CH2:40][CH2:41][N:42]2[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]2)[cH:29][cH:30][cH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([OH:14])([CH:15]([c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[C:23](=[O:25])[N:45]2[CH2:44][CH2:43][N:42]([CH2:41][CH2:40][CH2:39][CH2:38][c:28]3[cH:29][cH:30][cH:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]34)[CH2:47][CH2:46]2)[CH2:12][CH2:13]1