HRID1119905

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID28123

Tetrahydroborate

H4B-

结构：O=C(O)C(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1

HCID9896918

未命名化合物

PRODUCTS

生成物

结构：OCC(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1

HCID22413602

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-676ed78e1dfb41ff96e83832f5df2348
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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