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Dichloromethane → 4'-Isopropyl-5-methyl-biphenyl-2-carboxylic acid [4-[4-(3-cyano-benzyl)-piperazin-1-yl]-phenyl]-amide

HRID 2332613
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HRID 2332613 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.[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH:23]([CH3:24])([CH3:25])[c:26]1[cH:27][cH:28][c:29](-[c:32]2[c:33]([C:39](=[O:40])[OH:41])[cH:34][cH:35][c:36]([CH3:38])[cH:37]2)[cH:30][cH:31]1.[Cl:59][CH2:60][Cl:61].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]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:39]([c:33]4[c:32](-[c:29]5[cH:28][cH:27][c:26]([CH:23]([CH3:24])[CH3:25])[cH:31][cH:30]5)[cH:37][c:36]([CH3:38])[cH:35][cH:34]4)=[O:40])[cH:17][cH:18]3)[CH2:11][CH2:12]2)[cH:20][cH:21][cH:22]1
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참가 물질

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반응물 5

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 111854474-[4-(3-Cyano-benzyl)-piperazin-1-yl]-phenylamineHCID 185454504'-Isopropyl-5-methyl-biphenyl-2-carboxylic acid

생성물 1

HCID 9871617
4'-Isopropyl-5-methyl-biphenyl-2-carboxylic acid [4-[4-(3-cyano-benzyl)-piperazin-1-yl]-phenyl]-amide

출처 및 근거

ORD 기록
ord-b0a0fb41c4334240aa6ce5d4598b095a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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