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Dimethyl Sulfoxide → N-[4-(cyclopropylmethoxy)phenylmethyl]-4-[bis(4-trifluoromethylphenyl)hydroxymethyl]piperidine

HRID 136723
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HRID 136723 반응식
[C:42](=[O:43])([OH:44])[O-:45].[CH3:47][S:48](=[O:49])[CH3:50].[CH:29]1([CH2:32][O:33][c:34]2[cH:35][cH:36][c:37]([CH2:40][Cl:41])[cH:38][cH:39]2)[CH2:30][CH2:31]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9]([CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)([OH:16])[c:17]2[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[cH:7][cH:8]1)([F:27])[F:28].[Na+:46]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9]([CH:10]2[CH2:11][CH2:12][N:13]([CH2:40][c:37]3[cH:36][cH:35][c:34]([O:33][CH2:32][CH:29]4[CH2:30][CH2:31]4)[cH:39][cH:38]3)[CH2:14][CH2:15]2)([OH:16])[c:17]2[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[cH:7][cH:8]1)([F:27])[F:28]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium IonHCID 193637461-(Chloromethyl)-4-(cyclopropylmethoxy)benzeneHCID 19363748HCID 19363748, 화합물

생성물 1

HCID 11837562N-[4-(cyclopropylmethoxy)phenylmethyl]-4-[bis(4-trifluoromethylphenyl)hydroxymethyl]piperidine

출처 및 근거

ORD 기록
ord-67590f229f124dde8fc3bba78d901c3e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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