HRID1123172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：COCCCCn1c(C(=O)N(CC(C)C)C2CC(C(=O)O)CN(C(=O)OC(C)(C)C)C2)nc2ccccc21

HCID58355625

未命名化合物

PRODUCTS

生成物

结构：COCCCCn1c(C(=O)N(CC(C)C)C2CC(C(N)=O)CN(C(=O)OC(C)(C)C)C2)nc2ccccc21

HCID76731642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b73cb92dd02944cfa85f4cf9dd80b54c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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