HRID1129549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID89719

Methyl (2-hydroxyphenyl)acetate

C9H10O3

HCID166653

Hydride

H-

HCID11809594

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1ccccc1OCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1

HCID68886305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2dd5edc431914703a5797a65f045c6af
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

[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][c:10]2[n:11][c:12](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[o:13][c:14]2[CH3:15])[cH:22][cH:23]1.[H-:41].[Na+:42].[OH2:43].[OH:24][c:25]1[c:26]([CH2:31][C:32](=[O:33])[O:34][CH3:35])[cH:27][cH:28][cH:29][cH:30]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][c:10]2[n:11][c:12](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[o:13][c:14]2[CH3:15])[cH:22][cH:23]1)[O:24][c:25]1[c:26]([CH2:31][C:32](=[O:33])[O:34][CH3:35])[cH:27][cH:28][cH:29][cH:30]1