HRID697183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

反应SMILES：CCOC(=O)C=Cc1ccc(N(C(=O)OC(C)(C)C)C2CCN(C(c3ccccc3)c3ccccc3)C2)nc1

HCID178470986

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N(c1ccc(C=CC(=O)O)cn1)C1CCN(C(c2ccccc2)c2ccccc2)C1

HCID178452721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6ea813ee56c14f5bb0f42766bb6aa8eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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