HRID295367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID268471

未命名化合物

结构：CC1CCC(C(C)C)C(C(=O)NCC(N)c2ccccc2)C1

HCID66831538

未命名化合物

PRODUCTS

生成物

结构：CC1CCC(C(C)C)C(C(=O)NCC(NC(=O)C(C)NC(=O)OC(C)(C)C)c2ccccc2)C1

HCID66831508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45de4c4cab534814b14337492b9066db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH3:10])[C:11](=[O:12])[OH:13].[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:24][CH2:25][N:26]=[C:27]=[N:28][CH2:29][CH2:30][CH2:31][N:32]([CH3:33])[CH3:34].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[NH2:35][CH:36]([CH2:37][NH:38][C:39](=[O:40])[CH:41]1[CH:42]([CH:48]([CH3:49])[CH3:50])[CH2:43][CH2:44][CH:45]([CH3:47])[CH2:46]1)[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[OH2:57].[OH:14][n:15]1[c:16]2[c:17]([cH:18][cH:19][cH:20][cH:21]2)[n:22][n:23]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH3:10])[C:11](=[O:13])[NH:35][CH:36]([CH2:37][NH:38][C:39](=[O:40])[CH:41]1[CH:42]([CH:48]([CH3:49])[CH3:50])[CH2:43][CH2:44][CH:45]([CH3:47])[CH2:46]1)[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1