HRID2138061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10332

3,4-Diaminotoluene

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3c(c2)OCCO3)CC1C(=O)O

HCID178452103

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C2CC(NC(=O)c3ccc4c(c3)OCCO4)CCN2C(=O)OC(C)(C)C)c(N)c1

HCID67266245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b97b51cf53a4a568d1c0799bdc94be4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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