HRID94846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：C=CCCCC1CC1OC(=O)NC(C(=O)N1CC(Oc2nc3cc(OC)ccc3nc2Cl)CC1C(=O)OC)C(C)(C)C

HCID72535810

未命名化合物

PRODUCTS

生成物

结构：C=CCCCC1CC1OC(=O)NC(C(=O)N1CC(Oc2nc3cc(OC)ccc3nc2C=C)CC1C(=O)OC)C(C)(C)C

HCID178442042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eeb80ccf6362459d9e3d2535f80000cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][C:2]([CH:3]([NH:4][C:5](=[O:6])[O:7][CH:8]1[CH:9]([CH2:11][CH2:12][CH2:13][CH:14]=[CH2:15])[CH2:10]1)[C:16](=[O:17])[N:18]1[CH:19]([C:20](=[O:21])[O:22][CH3:23])[CH2:24][CH:25]([O:27][c:28]2[n:29][c:30]3[cH:31][c:32]([O:39][CH3:40])[cH:33][cH:34][c:35]3[n:36][c:37]2[Cl:38])[CH2:26]1)([CH3:41])[CH3:42].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][CH2:51][OH:52].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[OH2:53]>>[CH3:1][C:2]([CH:3]([NH:4][C:5](=[O:6])[O:7][CH:8]1[CH:9]([CH2:11][CH2:12][CH2:13][CH:14]=[CH2:15])[CH2:10]1)[C:16](=[O:17])[N:18]1[CH:19]([C:20](=[O:21])[O:22][CH3:23])[CH2:24][CH:25]([O:27][c:28]2[n:29][c:30]3[cH:31][c:32]([O:39][CH3:40])[cH:33][cH:34][c:35]3[n:36][c:37]2[CH:43]=[CH2:44])[CH2:26]1)([CH3:41])[CH3:42]