HRID695913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID26297

2-Chloro-2-oxoethyl acetate

C4H5ClO3

结构：CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(N)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

HCID57322588

未命名化合物

PRODUCTS

生成物

结构：CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(NC(=O)COC(C)=O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

HCID57121951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e213e8466ca74c03828f912a2df50a8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:57]([CH3:58])(=[O:59])[O:60][CH2:61][C:62](=[O:63])[Cl:64].[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:56])[CH2:5][CH:6]([OH:55])[CH:7]([CH3:54])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:51][CH3:52])[CH:47]([NH2:50])[CH2:48][CH2:49]2)[CH3:53])[O:9][C:10](=[O:41])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:40])[C:18](=[O:39])[C:19]2([OH:38])[CH:20]([CH3:37])[CH2:21][CH:22]([O:35][CH3:36])[CH:23]([CH:24]([O:32][CH3:33])[CH2:25][CH:26]([CH3:31])[CH2:27][C:28]([CH3:30])=[CH:29]1)[O:34]2.[CH2:65]([Cl:66])[Cl:67]>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:56])[CH2:5][CH:6]([OH:55])[CH:7]([CH3:54])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:51][CH3:52])[CH:47]([NH:50][C:62]([CH2:61][O:60][C:57]([CH3:58])=[O:59])=[O:63])[CH2:48][CH2:49]2)[CH3:53])[O:9][C:10](=[O:41])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:40])[C:18](=[O:39])[C:19]2([OH:38])[CH:20]([CH3:37])[CH2:21][CH:22]([O:35][CH3:36])[CH:23]([CH:24]([O:32][CH3:33])[CH2:25][CH:26]([CH3:31])[CH2:27][C:28]([CH3:30])=[CH:29]1)[O:34]2