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Water → 2,6-Diphenyl-4-piperidone 1,2-Hexadecylene Ketal

HRID 677171
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HRID 677171 반응식
[CH2:32]([CH:33]([CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])[OH:48])[OH:49].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[OH2:20].[OH2:50].[c:1]1([CH:7]2[NH:8][CH:9]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH2:10][C:11](=[O:13])[CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([OH:27])(=[O:28])=[O:29])[cH:30][cH:31]1>>[c:1]1([CH:7]2[NH:8][CH:9]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH2:10][C:11]3([CH2:12]2)[O:13][CH:33]([CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])[CH2:32][O:49]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1
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반응물 5

HCID 962Water2회HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 980371,2-HexadecanediolHCID 28287082,6-Di(phenyl)-4-piperidone

생성물 1

HCID 867471002,6-Diphenyl-4-piperidone 1,2-Hexadecylene Ketal

출처 및 근거

ORD 기록
ord-c3d548d2f8ed418c8519d9903d98ef80
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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