HRID2325632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

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

HCID178443509

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)CCCCCCC=CCS2

HCID67443820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ec2e239b2e543718d8781324b547364
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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