HRID677895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CC(C)(C)OC(=O)NC(C(=O)N1CCC2C1C(c1c[nH]c3cc(F)ccc13)CN2C(=O)OCc1ccccc1)C1CCCCC1

HCID67411483

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C(=O)N1CCC2NCC(c3c[nH]c4cc(F)ccc34)C21)C1CCCCC1

HCID67410158

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74753338c35f49ce83643258a56903ee
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

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