HRID212634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID38042

10-Undecenoyl chloride

C11H19ClO

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：CC(O)C1CCC2C3CCC4N(C)C(=O)CCC4(C)C3CCC12C

HCID21470165

未命名化合物

结构：CC(O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C

HCID178465927

未命名化合物

PRODUCTS

生成物

结构：CC(OC(=O)C(C)(C)C)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C

HCID178471287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa50546168094c0ebe02ab910f39e329
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:55]([Cl:56])(=[O:57])[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH:66]=[CH2:67].[CH3:24][C:25]([C:26](=[O:27])[Cl:28])([CH3:29])[CH3:30].[OH:1][CH:2]([CH3:3])[CH:4]1[CH2:5][CH2:6][CH:7]2[CH:8]3[CH2:9][CH2:10][CH:11]4[NH:12][C:13](=[O:23])[CH:14]=[CH:15][C:16]4([CH3:17])[CH:18]3[CH2:19][CH2:20][C:21]12[CH3:22].[OH:31][CH:32]([CH:33]1[C:34]2([CH3:35])[CH:36]([CH:37]3[CH:38]([CH2:39][CH2:40]2)[C:41]2([CH3:42])[CH:43]([N:44]([CH3:45])[C:46](=[O:47])[CH2:48][CH2:49]2)[CH2:50][CH2:51]3)[CH2:52][CH2:53]1)[CH3:54]>>[O:1]([CH:2]([CH3:3])[CH:4]1[CH2:5][CH2:6][CH:7]2[CH:8]3[CH2:9][CH2:10][CH:11]4[NH:12][C:13](=[O:23])[CH:14]=[CH:15][C:16]4([CH3:17])[CH:18]3[CH2:19][CH2:20][C:21]12[CH3:22])[C:26]([C:25]([CH3:24])([CH3:29])[CH3:30])=[O:27]