1-Naphthalenemethanamine → 4-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]-N-(naphthalen-1-ylmethyl)benzamide

反応式

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

参加物

反応物 3

HCID 83551-Naphthalenemethanamine

HCID 16682925Trimethylaluminum

HCID 178497608CID 18766322

生成物 1

HCID 187663664-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]-N-(naphthalen-1-ylmethyl)benzamide

出典と根拠

ORDレコード: ord-9157cf7784a2414d9f0559554b2a5f03
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…