Iodide Ion → 4-Benzyl-piperidine-1-carboxylic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester

HRID 200664

반응식

HRID 200664 반응식
[CH3:20][n+:21]1[cH:22][cH:23][n:24]([C:26](=[O:27])[N:28]2[CH2:29][CH2:30][CH:31]([CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH2:32][CH2:33]2)[cH:25]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([O:9][c:10]2[cH:11][cH:12][c:13]([OH:16])[cH:14][cH:15]2)[n:7][cH:8]1)([F:17])[F:18].[I-:19]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([O:9][c:10]2[cH:11][cH:12][c:13]([O:16][C:26](=[O:27])[N:28]3[CH2:29][CH2:30][CH:31]([CH2:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[CH2:32][CH2:33]3)[cH:14][cH:15]2)[n:7][cH:8]1)([F:17])[F:18]

참가 물질

4

반응물 3

HCID 30165Iodide IonHCID 1552414-(5-Trifluoromethyl-pyridin-2-yloxy)-phenolHCID 86589191(4-Benzylpiperidin-1-yl)-(3-methylimidazol-3-ium-1-yl)methanone

생성물 1

HCID 236356364-Benzyl-piperidine-1-carboxylic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester

출처 및 근거

ORD 기록
ord-710e36d9ae72463396e42d566c2c3f10
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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