Pyridine → 5-n-Butyl-2-[5-(butyrylamino)-2-chlorophenyl]-4-[[2'-[N-(2-chlorobenzoyl)-sulfamoyl]biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

HRID 2151953

반응식

HRID 2151953 반응식
[C:45]([CH2:46][CH2:47][CH3:48])(=[O:49])[Cl:50].[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([Cl:44])[c:6](-[n:8]2[n:9][c:10]([CH2:40][CH2:41][CH2:42][CH3:43])[n:11]([CH2:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([S:27]([NH:28][C:29]([c:30]5[c:31]([Cl:36])[cH:32][cH:33][cH:34][cH:35]5)=[O:37])(=[O:38])=[O:39])[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[c:12]2=[O:13])[cH:7]1.[cH:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([Cl:44])[c:6](-[n:8]2[n:9][c:10]([CH2:40][CH2:41][CH2:42][CH3:43])[n:11]([CH2:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([S:27]([NH:28][C:29]([c:30]5[c:31]([Cl:36])[cH:32][cH:33][cH:34][cH:35]5)=[O:37])(=[O:38])=[O:39])[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[c:12]2=[O:13])[cH:7]1)[C:45]([CH2:46][CH2:47][CH3:48])=[O:49]

참가 물질

5

반응물 4

HCID 1049PyridineHCID 8855Butyryl chlorideHCID 142844-(Dimethylamino)pyridineHCID 100321934''-[1-(5-Amino-2-chloro-phenyl)-3-butyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid 2-chloro-benzoylamide

생성물 1

HCID 104398625-n-Butyl-2-[5-(butyrylamino)-2-chlorophenyl]-4-[[2'-[N-(2-chlorobenzoyl)-sulfamoyl]biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

출처 및 근거

ORD 기록
ord-182555299101460582afd70b0a105d78
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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