HRID303241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

结构：C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(SCC=C)(c2ccc(-c3ccccc3)cc2)CC1C(=O)OC

HCID178443679

未命名化合物

HCID178524460

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CC2(c3ccc(-c4ccccc4)cc3)CN1C(=O)C(NC(=O)OC(C)(C)C)CCCCCC=CCS2

HCID67444419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdf82c7ec549414d906c05effb4ad687
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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