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Diethyl Ether → 4-(Azetidin-1-ylmethyl)piperidine-1-carboxylic acid [4-(4-{3-[2-(4-fluorophenyl)acetyl]ureido}phenoxy)pyridin-2-yl]amide

HRID 1549494
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HRID 1549494 반응식
[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][CH2:54][O:55][CH2:56][CH3:57].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[F:29][c:30]1[cH:31][cH:32][c:33]([CH2:36][C:37](=[O:38])[N:39]=[C:40]=[O:41])[cH:34][cH:35]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][CH:19]([CH2:22][N:23]4[CH2:24][CH2:25][CH2:26]4)[CH2:20][CH2:21]3)[n:10][cH:11][cH:12]2)[cH:27][cH:28]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][CH:19]([CH2:22][N:23]4[CH2:24][CH2:25][CH2:26]4)[CH2:20][CH2:21]3)[n:10][cH:11][cH:12]2)[cH:27][cH:28]1)[C:40]([NH:39][C:37]([CH2:36][c:33]1[cH:32][cH:31][c:30]([F:29])[cH:35][cH:34]1)=[O:38])=[O:41]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 231530882-(4-Fluorophenyl)acetyl isocyanateHCID 866021774-(Azetidin-1-ylmethyl)piperidine-1-carboxylic acid [4-(4-aminophenoxy)pyridin-2-yl]amide

생성물 1

HCID 57677715
4-(Azetidin-1-ylmethyl)piperidine-1-carboxylic acid [4-(4-{3-[2-(4-fluorophenyl)acetyl]ureido}phenoxy)pyridin-2-yl]amide

출처 및 근거

ORD 기록
ord-c6a494a740514f8d91624949ef5c2f5c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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