p-Toluenesulfonic acid → N-(4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethyl)-N'-(2-chlorophenyl)urea
반응식
[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[Cl:47][c:48]1[c:49]([N:54]=[C:55]=[O:56])[cH:50][cH:51][cH:52][cH:53]1.[Cl:64][CH:65]([Cl:66])[CH3:67].[NH2:23][CH2:24][c:25]1[n:26][n:27][c:28]([CH3:46])[n:29]1-[c:30]1[s:31][c:32]([CH2:44][CH3:45])[cH:33][c:34]1[C:35]([c:36]1[c:37]([Cl:42])[cH:38][cH:39][cH:40][cH:41]1)=[O:43].[c:12]1([CH3:13])[cH:14][cH:15][c:16]([S:17]([OH:18])(=[O:19])=[O:20])[cH:21][cH:22]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[NH:23]([CH2:24][c:25]1[n:26][n:27][c:28]([CH3:46])[n:29]1-[c:30]1[s:31][c:32]([CH2:44][CH3:45])[cH:33][c:34]1[C:35]([c:36]1[c:37]([Cl:42])[cH:38][cH:39][cH:40][cH:41]1)=[O:43])[C:55]([NH:54][c:49]1[c:48]([Cl:47])[cH:53][cH:52][cH:51][cH:50]1)=[O:56]참가 물질
6
반응물 5
생성물 1
출처 및 근거
- ORD 기록
- ord-1b39adbae9eb49cda14eff98f4c747e7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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