HRID2161125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8113

Diethanolamine

C4H11NO2

HCID28123

Tetrahydroborate

H4B-

结构：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C=O)cc2)n1

HCID58729139

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(CN(CCO)CCO)cc2)n1

HCID58729014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ecbf29d5f3a44c9a2e53f0405164f26
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-:49].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:35])[c:14](-[c:18]3[n:19][c:20]([NH:26][c:27]4[cH:28][cH:29][c:30]([CH:33]=[O:34])[cH:31][cH:32]4)[c:21](=[O:25])[n:22]([CH3:24])[cH:23]3)[cH:15][cH:16][cH:17]2)[cH:36][cH:37]1.[CH3:45][C:46](=[O:47])[OH:48].[CH3:51][OH:52].[Na+:50].[OH:38][CH2:39][CH2:40][NH:41][CH2:42][CH2:43][OH:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:35])[c:14](-[c:18]3[n:19][c:20]([NH:26][c:27]4[cH:28][cH:29][c:30]([CH2:33][N:41]([CH2:40][CH2:39][OH:38])[CH2:42][CH2:43][OH:44])[cH:31][cH:32]4)[c:21](=[O:25])[n:22]([CH3:24])[cH:23]3)[cH:15][cH:16][cH:17]2)[cH:36][cH:37]1