HRID103049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6351

Cyclopropane

C3H6

HCID6371

Phosgene

CCl2O

HCID8471

Triethylamine

C6H15N

结构：C=CCOC1CC(C=C(C)C2OC(=O)C3CCCCN3C(=O)C(=O)C3(O)OC(C(OC)CC(C)CC(C)=CC(CC)C(=O)CCC2C)C(OC)CC3C)CCC1N

HCID77372940

未命名化合物

PRODUCTS

生成物

结构：C=CCOC1CC(C=C(C)C2OC(=O)C3CCCCN3C(=O)C(=O)C3(O)OC(C(OC)CC(C)CC(C)=CC(CC)C(=O)CCC2C)C(OC)CC3C)CCC1NC(=O)C1CC1

HCID57193699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e96ce2542f64dcc82261253039116c1
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:65](=[O:66])([Cl:67])[Cl:68].[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:57])[CH2:5][CH2:6][CH:7]([CH3:56])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:51][CH2:52][CH:53]=[CH2:54])[CH:47]([NH2:50])[CH2:48][CH2:49]2)[CH3:55])[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.[CH2:69]1[CH2:70][CH2:71]1.[CH2:72]([Cl:73])[Cl:74].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64]>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:57])[CH2:5][CH2:6][CH:7]([CH3:56])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:51][CH2:52][CH:53]=[CH2:54])[CH:47]([NH:50][C:65](=[O:66])[CH:69]3[CH2:70][CH2:71]3)[CH2:48][CH2:49]2)[CH3:55])[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