HRID214825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID1995

N-Acetylleucine

C8H15NO3

HCID7504

Benzylamine

C7H9N

HCID7532

Benzenemethanesulfonic acid

C7H8O3S

HCID17355

Benzylacetone

C10H12O

HCID239915

2-[(benzylsulfonyl)amino]-4-methylpentanoic acid

C13H19NO4S

PRODUCTS

生成物

HCID4362644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f4dfe3abcbd48f0924f5d2e078b4187
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:51]([NH:52][CH:53]([C:54]([OH:55])=[O:56])[CH2:57][CH:58]([CH3:59])[CH3:60])(=[O:61])[CH3:62].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9]([CH3:10])=[O:11].[CH3:69][CH2:70][OH:71].[NH2:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[OH2:20].[c:21]1([CH2:22][S:23]([OH:24])(=[O:25])=[O:26])[cH:27][cH:28][cH:29][cH:30][cH:31]1.[c:32]1([CH2:33][S:34]([NH:35][CH:36]([C:37]([OH:38])=[O:39])[CH2:40][CH:41]([CH3:42])[CH3:43])(=[O:44])=[O:45])[cH:46][cH:47][cH:48][cH:49][cH:50]1.[cH:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH:9]([CH3:10])[NH:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1