HRID2346841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CCC1(CC)OC(=O)N(CCC(C)(C)NCC(O)c2cc(OCc3ccccc3)cc3[nH]c(=O)ccc23)c2ccccc21

HCID21072813

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CCC1(CC)OC(=O)N(CCC(C)(C)NCC(O)c2cc(O)cc3[nH]c(=O)ccc23)c2ccccc21

HCID21072843

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cf88719cbd8443394ced5827f29d44f
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

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