HRID180661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID84152

Methyl 3-hydroxypivalate

C6H12O3

HCID86628559

未命名化合物

结构：CC(c1cccc2ccccc12)N(CC1CNCC1c1ccccc1)C(=O)OC(C)(C)C

HCID178435709

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)COC(=O)N1CC(CN(C(=O)OC(C)(C)C)C(C)c2cccc3ccccc23)C(c2ccccc2)C1

HCID178500428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-364d3bcc12b044fa9ac22ce2a3c36355
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

[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[Cl:1][CH2:2][Cl:3].[O:4]=[C:5]1[CH2:6][CH2:7][C:8](=[O:9])[N:10]1[O:11][C:12](=[O:13])[O:14][CH2:15][C:16]([C:17](=[O:18])[O:19][CH3:20])([CH3:21])[CH3:22].[OH:23][CH2:24][C:25]([CH3:26])([CH3:27])[C:28]([O:29][CH3:30])=[O:31].[c:32]1([CH:42]([CH3:43])[N:44]([C:45]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[CH2:52][CH:53]2[CH2:54][NH:55][CH2:56][CH:57]2[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:33][cH:34][cH:35][c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]12>>[O:11]=[C:12]([O:14][CH2:15][C:16]([C:17](=[O:18])[O:19][CH3:20])([CH3:21])[CH3:22])[N:55]1[CH2:54][CH:53]([CH2:52][N:44]([CH:42]([c:32]2[cH:33][cH:34][cH:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]23)[CH3:43])[C:45]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[CH:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[CH2:56]1