HRID103451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

HCID21832163

未命名化合物

HCID21832178

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1ccc(OCC(C)NCC(O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1

HCID21832189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ec9f4cca5a14d26af74d209f4f4d1f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:42]([BH3-:43])#[N:44].[CH3:46][OH:47].[NH2:1][CH2:2][CH:3]([OH:4])[c:5]1[cH:6][c:7]([C:16]([CH3:17])([CH3:18])[CH3:19])[c:8]([OH:15])[c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1.[Na+:45].[O:20]=[C:21]([CH2:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH2:30][C:31](=[O:32])[O:33][CH3:34])[cH:28][cH:29]1)[CH3:35].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[NH:1]([CH2:2][CH:3]([OH:4])[c:5]1[cH:6][c:7]([C:16]([CH3:17])([CH3:18])[CH3:19])[c:8]([OH:15])[c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1)[CH:21]([CH2:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH2:30][C:31](=[O:32])[O:33][CH3:34])[cH:28][cH:29]1)[CH3:35]