Dimethylformamide → 2-Hydroxy-1-{3-[2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-azetidin-1-yl}-2-methyl-propan-1-one
反応式
[NH:1]1[CH2:2][CH:3]([c:5]2[cH:6][c:7]3[c:8]([cH:25][cH:26]2)-[c:9]2[n:10][c:11](-[c:17]4[n:18]([CH:22]([CH3:23])[CH3:24])[n:19][cH:20][n:21]4)[s:12][c:13]2[CH2:14][CH2:15][O:16]3)[CH2:4]1.[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[OH:27][C:28]([C:29](=[O:30])[OH:31])([CH3:32])[CH3:33]>>[N:1]1([C:29]([C:28]([OH:27])([CH3:32])[CH3:33])=[O:30])[CH2:2][CH:3]([c:5]2[cH:6][c:7]3[c:8]([cH:25][cH:26]2)-[c:9]2[n:10][c:11](-[c:17]4[n:18]([CH:22]([CH3:23])[CH3:24])[n:19][cH:20][n:21]4)[s:12][c:13]2[CH2:14][CH2:15][O:16]3)[CH2:4]1参加物
4
反応物 3
生成物 1
出典と根拠
- ORDレコード
- ord-3865e3cdca104463b366579de4f129e9
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)