HRID1538181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6456

Trityl chloride

C19H15Cl

HCID8471

Triethylamine

C6H15N

HCID178471275

未命名化合物

HCID178525356

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID11568047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d81b8839d613434c99d5920e80463896
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:21](=[O:22])([O:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH2:28][c:29]1[n:30][cH:31][nH:32][cH:33]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:61][CH2:62][OH:63].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[Na+:16].[OH2:64].[OH:17][C:18](=[O:19])[O-:20].[S:11](=[O:12])(=[O:13])([OH:14])[OH:15].[c:41]1([C:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[Cl:60])[cH:42][cH:43][cH:44][cH:45][cH:46]1.[nH:1]1[cH:2][c:3]([CH2:4][CH2:5][C:6]([OH:7])=[O:8])[n:9][cH:10]1>>[C:21](=[O:22])([O:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH2:28][c:29]1[n:30][cH:31][n:32]([C:47]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:33]1