HRID673793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID21036431

未命名化合物

PRODUCTS

产物

HCID21036430

Racemic (2R,5S,6S)-5-Amino-6-hydroxy-2-methyl-azepane-1-carboxylic acid benzyl ester

C15H22N2O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-460d0842493d4a28976631d7a76110a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][C:28](=[O:29])[N:30]1[CH:31]([CH3:41])[CH2:32][CH2:33][CH:34]([N:38]=[N+:39]=[N-:40])[CH:35]([OH:37])[CH2:36]1.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[OH2:47].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][C:28](=[O:29])[N:30]1[CH:31]([CH3:41])[CH2:32][CH2:33][CH:34]([NH2:38])[CH:35]([OH:37])[CH2:36]1