HRID2327532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID18468972

未命名化合物

结构：CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)O)C(C)C

HCID178474687

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CC(Oc2ccccc2)CN1C(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(C)=O)C(C)C

HCID178498496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6642586754504e6e9fc822641eb91d3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]1)[C:14](=[O:15])[NH:16][CH:17]([CH:18]([CH3:19])[CH3:20])[C:21](=[O:22])[OH:23].[CH2:59]([Cl:60])[CH2:61][Cl:62].[CH3:24][O:25][C:26]([CH:27]1[NH:28][CH2:29][CH:30]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:31]1)=[O:39].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:74][CH2:75][Cl:76].[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]1)[C:14](=[O:15])[NH:16][CH:17]([CH:18]([CH3:19])[CH3:20])[C:21](=[O:23])[N:28]1[CH:27]([C:26]([O:25][CH3:24])=[O:39])[CH2:31][CH:30]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:29]1