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Chloride → Ethyl 1-(2,2,2-trifluoro-1-(3-(trifluoromethyl)phenyl)ethyl)piperidine-4-carboxylate

HRID 213290
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HRID 213290 반응식
[C:28]([BH3-:29])#[N:30].[C:32](=[O:33])([OH:34])[O-:35].[CH3:40][OH:41].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[Cl-:42].[Cl-:44].[Cl-:45].[Cl-:46].[Cl:37][CH2:38][Cl:39].[F:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1)([F:15])[F:16].[NH:17]1[CH2:18][CH2:19][CH:20]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:26][CH2:27]1.[Na+:31].[Na+:36].[Ti+4:43]>>[F:1][C:2]([CH:3]([c:5]1[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1)[N:17]1[CH2:18][CH2:19][CH:20]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:26][CH2:27]1)([F:15])[F:16]
참가 물질출처 및 근거반응 노트

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13

반응물 12

HCID 312Chloride4회HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium Ion2회HCID 1140TolueneHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl Acetate
HCID 70770Ethyl 4-piperidinecarboxylate
HCID 114942Titanium cation (4+)
HCID 1365592,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone
HCID 498716Cyano-borohydride

생성물 1

HCID 86649627Ethyl 1-(2,2,2-trifluoro-1-(3-(trifluoromethyl)phenyl)ethyl)piperidine-4-carboxylate

출처 및 근거

ORD 기록
ord-29077b58f0244be4a553f15bbd965a28
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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