HRID1535574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID126

4-Hydroxybenzaldehyde

C7H6O2

HCID702

Ethanol

C2H6O

HCID7918

Acetic anhydride

C4H6O3

HCID28123

Tetrahydroborate

H4B-

结构：COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID12146688

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(Cc3ccc(O)cc3)CC2)cc1

HCID10298145

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a42292c3fb04d629bbd08fe04328963
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[BH4-:43].[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]([C:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)=[O:20])[CH:21]2[CH2:22][CH2:23][N:24]([C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:25][CH2:26]2)[cH:6][cH:7]1.[CH3:44][C:45]([O:46][C:47](=[O:48])[CH3:49])=[O:50].[CH3:51][CH2:52][OH:53].[OH:34][c:35]1[cH:36][cH:37][c:38]([CH:39]=[O:40])[cH:41][cH:42]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]([C:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)=[O:20])[CH:21]2[CH2:22][CH2:23][N:24]([CH2:27][c:38]3[cH:37][cH:36][c:35]([OH:34])[cH:42][cH:41]3)[CH2:25][CH2:26]2)[cH:6][cH:7]1