HRID294305

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID28123

Tetrahydroborate

H4B-

结构：CC(C)(C)CN1C(=O)C(CC(=O)O)OC(c2ccccc2Cl)c2cc(Cl)ccc21

HCID9889227

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CN1C(=O)C(CCO)OC(c2ccccc2Cl)c2cc(Cl)ccc21

HCID69945754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5c703fa313d41b093b30582d28f0dca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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