HRID1143982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6386

tert-Butyl alcohol

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8078

Cyclohexane

C6H12

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID13041

Pentafluorophenol

C6HF5O

结构：Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)O)cc2cn[nH]c12

HCID21102025

未命名化合物

HCID178418400

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC(C)(C)C)cc2cn[nH]c12

HCID11443984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-544c821240614ab5bdd3902fd298e919
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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