HRID2315335

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID590679

3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid

C9H11NO3

结构：CC(C)(C)OC(=O)C1CC2CCCCC2N1C(=O)C(NC(=O)C(N)C1CCCCC1)C(C)(C)C

HCID68496924

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1c(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)OC(C)(C)C)CC3CCCCC32)C(C)(C)C)C2CCCCC2)[nH]c(C)c1C

HCID68492991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5fa837f31ac41b0af45732c504caa56
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])[c:4]1[c:5]([C:11](=[O:12])[OH:13])[nH:6][c:7]([CH3:10])[c:8]1[CH3:9].[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[CH:35]1[N:36]([C:44]([CH:45]([C:46]([CH3:47])([CH3:48])[CH3:49])[NH:50][C:51]([CH:52]([CH:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[NH2:59])=[O:60])=[O:61])[CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH:42]2[CH2:43]1.[CH2:14]([Cl:15])[CH2:16][Cl:17].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH:18][n:19]1[c:20]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[n:26][n:27]1>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([C:11](=[O:13])[NH:59][CH:52]([C:51]([NH:50][CH:45]([C:44]([N:36]2[CH:35]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:43][CH:42]3[CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41]3)=[O:61])[C:46]([CH3:47])([CH3:48])[CH3:49])=[O:60])[CH:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[nH:6][c:7]([CH3:10])[c:8]1[CH3:9]