HRID103522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID424

DL-Aspartic acid

C4H7NO4

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

结构：CCCCN(CCCC)c1cccc2c(S(=O)(=O)Cl)cccc12

HCID191102

Bansyl compound

C18H24ClNO2S

PRODUCTS

生成物

结构：CCCCN(CCCC)c1cccc2c(S(=O)(=O)NC(CC(=O)O)C(=O)O)cccc12

HCID11476470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cd8a5788c2d410c9d928951540a32a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:15]([CH2:16][CH2:17][CH3:18])[N:19]([c:20]1[c:21]2[cH:22][cH:23][cH:24][c:25]([S:30](=[O:31])(=[O:32])[Cl:33])[c:26]2[cH:27][cH:28][cH:29]1)[CH2:34][CH2:35][CH2:36][CH3:37].[CH3:39][C:40](=[O:41])[CH3:42].[NH2:1][CH:2]([CH2:3][C:4]([OH:5])=[O:6])[C:7]([OH:8])=[O:9].[Na+:14].[O-:10][C:11]([OH:12])=[O:13].[OH2:38]>>[NH:1]([CH:2]([CH2:3][C:4]([OH:5])=[O:6])[C:7]([OH:8])=[O:9])[S:30]([c:25]1[cH:24][cH:23][cH:22][c:21]2[c:20]([N:19]([CH2:15][CH2:16][CH2:17][CH3:18])[CH2:34][CH2:35][CH2:36][CH3:37])[cH:29][cH:28][cH:27][c:26]21)(=[O:31])=[O:32]