HRID2141378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID2903

Cyclooctanamine

C8H17N

HCID28123

Tetrahydroborate

H4B-

结构：COCOc1ccc(C(c2ccc(OCOC)cc2)c2ccccc2C=O)cc1

HCID19938143

未命名化合物

PRODUCTS

生成物

结构：COCOc1ccc(C(c2ccc(OCOC)cc2)c2ccccc2CNC2CCCCCCC2)cc1

HCID19938097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddc01d13ffec43928e2b779b93234803
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH4-:39].[CH3:10][O:11][CH2:12][O:13][c:14]1[cH:15][cH:16][c:17]([CH:20]([c:21]2[c:22]([CH:23]=[O:24])[cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][c:32]([O:35][CH2:36][O:37][CH3:38])[cH:33][cH:34]2)[cH:18][cH:19]1.[CH3:41][CH2:42][OH:43].[CH:1]1([NH2:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1.[Na+:40]>>[CH:1]1([NH:9][CH2:23][c:22]2[c:21]([CH:20]([c:17]3[cH:16][cH:15][c:14]([O:13][CH2:12][O:11][CH3:10])[cH:19][cH:18]3)[c:29]3[cH:30][cH:31][c:32]([O:35][CH2:36][O:37][CH3:38])[cH:33][cH:34]3)[cH:28][cH:27][cH:26][cH:25]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1