HRID2126505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

HCID1117

Sulfate

O4S-2

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID14487

Diisobutylaluminum hydride

C8H19Al

结构：CCOC(=O)c1coc(C(CCCC2CCCCC2)CC(=O)NOCc2ccccc2)n1

HCID22480782

未命名化合物

PRODUCTS

生成物

结构：O=Cc1coc(C(CCCC2CCCCC2)CC(=O)NOCc2ccccc2)n1

HCID22733239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb19cc4587064aa980fdb86a82d1af28
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][NH:9][C:10]([CH2:11][CH:12]([CH2:13][CH2:14][CH2:15][CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1)[c:22]1[o:23][cH:24][c:25]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[n:26]1)=[O:32].[CH3:33][CH:34]([CH2:35][AlH:36][CH2:37][CH:38]([CH3:39])[CH3:40])[CH3:41].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[CH3:66][OH:67].[Mg+2:47].[Na+:46].[O-:42][C:43]([OH:44])=[O:45].[O-:48][S:49]([O-:50])(=[O:51])=[O:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][NH:9][C:10]([CH2:11][CH:12]([CH2:13][CH2:14][CH2:15][CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1)[c:22]1[o:23][cH:24][c:25]([CH:27]=[O:28])[n:26]1)=[O:32]