Allyl Isothiocyanate → 3-[3-Chloro-4-hydroxy-5-(t-butyl)phenyl]-5-isothiocyanatomethyl-2-isoxazoline

反応式

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

参加物

反応物 3

HCID 5971Allyl Isothiocyanate

HCID 3285904-Hydroxy-3,5-bis(t-butyl)benzaldoxime

HCID 136359181alpha,3-Dichloro-4-hydroxy-5-(t-butyl)benzaldoxime

生成物 1

HCID 1356013883-[3-Chloro-4-hydroxy-5-(t-butyl)phenyl]-5-isothiocyanatomethyl-2-isoxazoline

出典と根拠

ORDレコード: ord-8b6335abf21142bb929f21a7e2e5bfb5
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…