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

HRID 157008

반응식

HRID 157008 반응식
[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]

참가 물질

3

반응물 2

HCID 117976N,N-Diethyl-1,4-butanediamineHCID 54053016[4-Carbamoyl-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazol-5-yl]-carbamic acid phenyl ester

생성물 1

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

출처 및 근거

ORD 기록
ord-86406d3f757043418869e6a6a08903c1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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