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Dichloromethane → 6-Methyl-4'-trifluoromethyl-biphenyl-2-carboxylic acid [4-[4-(3-cyano-benzyl)-piperazin-1-yl]-phenyl]-amide

HRID 672674
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HRID 672674 반응식
[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH2:9][N:10]([c:13]3[cH:14][cH:15][c:16]([NH2:19])[cH:17][cH:18]3)[CH2:11][CH2:12]2)[cH:20][cH:21][cH:22]1.[CH3:23][c:24]1[cH:25][cH:26][cH:27][c:28]([C:40](=[O:41])[OH:42])[c:29]1-[c:30]1[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[Cl:60][CH2:61][Cl:62].[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH2:9][N:10]([c:13]3[cH:14][cH:15][c:16]([NH:19][C:40]([c:28]4[cH:27][cH:26][cH:25][c:24]([CH3:23])[c:29]4-[c:30]4[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]4)=[O:41])[cH:17][cH:18]3)[CH2:11][CH2:12]2)[cH:20][cH:21][cH:22]1
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참가 물질

6

반응물 5

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 10945826[1,1'-Biphenyl]-2-carboxylic acid, 6-methyl-4'-(trifluoromethyl)-HCID 111854474-[4-(3-Cyano-benzyl)-piperazin-1-yl]-phenylamine

생성물 1

HCID 9872372
6-Methyl-4'-trifluoromethyl-biphenyl-2-carboxylic acid [4-[4-(3-cyano-benzyl)-piperazin-1-yl]-phenyl]-amide

출처 및 근거

ORD 기록
ord-ba4989a07dd348f0b658a20a5a629296
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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