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Dimethylformamide → 1-[[1-[2-(4-Fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea

HRID 1153673
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반응식

HRID 1153673 반응식
[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]2[CH2:11][CH:12]([CH2:17][NH2:18])[CH:13]([CH3:16])[CH2:14][CH2:15]2)[cH:6][cH:7]1.[c:19]1([O:25][C:26](=[O:20])[NH:27][c:28]2[cH:29][c:30](-[c:34]3[n:35][n:36][n:37][n:38]3[CH3:39])[cH:31][cH:32][cH:33]2)[cH:21][cH:22][cH:23][cH:24][cH:40]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]2[CH2:11][CH:12]([CH2:17][NH:18][C:26](=[O:25])[NH:27][c:28]3[cH:29][c:30](-[c:34]4[n:35][n:36][n:37][n:38]4[CH3:39])[cH:31][cH:32][cH:33]3)[CH:13]([CH3:16])[CH2:14][CH2:15]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 22252681phenyl 3-(1-methyl-1H-tetraazol-5-yl)phenylcarbamateHCID 69736295[1-[2-(4-Fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine

생성물 1

HCID 697362631-[[1-[2-(4-Fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea

출처 및 근거

ORD 기록
ord-85ca148348a846e58cb9b82dc412b72c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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