HRID1202285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID6385

tert-Butylamine

C4H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID187807

Chloromethanesulfonic acid

CH3ClO3S

结构：C=CCn1c(=O)c2cnc(Nc3ccc(CO)cc3)nc2n1-c1cccc(-n2ccccc2=O)n1

HCID68425714

未命名化合物

PRODUCTS

生成物

结构：C=CCn1c(=O)c2cnc(Nc3ccc(CNC(C)(C)C)cc3)nc2n1-c1cccc(-n2ccccc2=O)n1

HCID42602767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-675d0876ad4a48ad8ec0f23b0c7694bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:7]([CH:8]=[CH2:9])[n:10]1[n:11](-[c:29]2[cH:30][cH:31][cH:32][c:33](-[n:35]3[c:36](=[O:41])[cH:37][cH:38][cH:39][cH:40]3)[n:34]2)[c:12]2[n:13][c:14]([NH:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][OH:28])[cH:25][cH:26]3)[n:15][cH:16][c:17]2[c:18]1=[O:19].[CH3:42][C:43]([CH3:44])([CH3:45])[NH2:46].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH:52]([Cl:53])([Cl:54])[Cl:55].[Cl:1][CH2:2][S:3]([OH:4])(=[O:5])=[O:6].[Na+:47].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH:48][C:49](=[O:50])[O-:51]>>[CH2:7]([CH:8]=[CH2:9])[n:10]1[n:11](-[c:29]2[cH:30][cH:31][cH:32][c:33](-[n:35]3[c:36](=[O:41])[cH:37][cH:38][cH:39][cH:40]3)[n:34]2)[c:12]2[n:13][c:14]([NH:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][NH:46][C:43]([CH3:42])([CH3:44])[CH3:45])[cH:25][cH:26]3)[n:15][cH:16][c:17]2[c:18]1=[O:19]