HRID202506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID21991021

4-Chloro-7-methoxycinnoline

C9H7ClN2O

结构：CCC1CC1(NC(=O)C1CC(O)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)O

HCID68616376

未命名化合物

PRODUCTS

生成物

结构：CCC1CC1(NC(=O)C1CC(Oc2cnnc3cc(OC)ccc23)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)O

HCID68617576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7d5502c3db54d11954fa2bf928384e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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