N,N-Diethyl-1,4-butanediamine → 5-[3-(4-Diethylamino-butyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic Acid Amide

反応式

[CH2:31]([CH3:32])[N:33]([CH2:34][CH2:35][CH2:36][CH2:37][NH2:38])[CH2:39][CH3:40].[c:1]1([O:2][C:8]([NH:9][c:10]2[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]3[c:18]([F:26])[c:19]([F:25])[c:20]([CH3:24])[cH:21][c:22]3[F:23])[n:13][s:14]2)=[O:30])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]2[c:18]([F:26])[c:19]([F:25])[c:20]([CH3:24])[cH:21][c:22]2[F:23])[n:13][s:14]1)(=[O:30])[NH:38][CH2:37][CH2:36][CH2:35][CH2:34][N:33]([CH2:31][CH3:32])[CH2:39][CH3:40]

参加物

反応物 2

HCID 117976N,N-Diethyl-1,4-butanediamine

HCID 54053016[4-Carbamoyl-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazol-5-yl]-carbamic acid phenyl ester

生成物 1

HCID 117058045-[3-(4-Diethylamino-butyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic Acid Amide

出典と根拠

ORDレコード: ord-86406d3f757043418869e6a6a08903c1
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…