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Acetic Acid → N-((1-(2-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)methyl)-N-methyl-3'-(methylsulfonyl)biphenyl-4-amine

HRID 1145898
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HRID 1145898 반응식
[C:39]([BH3-:40])#[N:41].[CH2:37]=[O:38].[CH3:35][OH:36].[CH3:43][C:44](=[O:45])[OH:46].[Cl:1][c:2]1[c:3](-[n:8]2[n:9][c:10]([C:31]([F:32])([F:33])[F:34])[cH:11][c:12]2[CH2:13][NH:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[cH:22][c:23]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:42]>>[Cl:1][c:2]1[c:3](-[n:8]2[n:9][c:10]([C:31]([F:32])([F:33])[F:34])[cH:11][c:12]2[CH2:13][N:14]([c:15]2[cH:16][cH:17][c:18](-[c:21]3[cH:22][c:23]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[CH3:39])[cH:4][cH:5][cH:6][cH:7]1
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반응물 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium IonHCID 498716Cyano-borohydrideHCID 59240161N-((1-(2-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)methyl)-3'-(methylsulfonyl)biphenyl-4-amine

생성물 1

HCID 59240176
N-((1-(2-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)methyl)-N-methyl-3'-(methylsulfonyl)biphenyl-4-amine

출처 및 근거

ORD 기록
ord-a426a701be47414c87c00d806c92cefe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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