HRID95894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22082824

Ethyl 1-amino-2-ethenylcyclopropane-1-carboxylate

C8H13NO2

结构：COc1ccc2c(OC3CC(C(=O)O)N(C(=O)OC(C)(C)C)C3)cc(-c3csc(NC(C)C)n3)nc2c1

HCID74955511

未命名化合物

PRODUCTS

生成物

结构：C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3csc(NC(C)C)n3)nc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)OCC

HCID20773665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da94b51ad4834f668dea5010d52748d7
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:35](=[O:36])[OH:37])[CH2:10][CH:11]([O:13][c:14]2[cH:15][c:16](-[c:26]3[n:27][c:28]([NH:31][CH:32]([CH3:33])[CH3:34])[s:29][cH:30]3)[n:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1.[CH2:38]([CH3:39])[O:40][C:41](=[O:42])[C:43]1([NH2:48])[CH:44]([CH:46]=[CH2:47])[CH2:45]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:35](=[O:37])[NH:48][C:43]2([C:41]([O:40][CH2:38][CH3:39])=[O:42])[CH:44]([CH:46]=[CH2:47])[CH2:45]2)[CH2:10][CH:11]([O:13][c:14]2[cH:15][c:16](-[c:26]3[n:27][c:28]([NH:31][CH:32]([CH3:33])[CH3:34])[s:29][cH:30]3)[n:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1