HRID152330

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID67338

1,2-Ethanediamine, N,N,N'-trimethyl-

C5H14N2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：COc1cc(O)ccc1-c1ccc2c(c1COC(=O)c1ccc(C)s1)C(C)=CC(C)(C)N2

HCID25015624

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC(=O)N(C)CCN(C)C)ccc1-c1ccc2c(c1COC(=O)c1ccc(C)s1)C(C)=CC(C)(C)N2

HCID24891089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d21a187a47174d4ba255ea5a386922bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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