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Diethyl Ether → 4-[2-(Azetidin-1-yl)ethyl]piperazine-1-carboxylic acid {4-[2-fluoro-4-(3-phenylacetylureido)phenoxy]pyridin-2-yl}amide

HRID 101396
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HRID 101396 반응식
[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[CH3:54][CH2:55][O:56][CH2:57][CH3:58].[NH2:1][c:2]1[cH:3][c:4]([F:30])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][N:24]4[CH2:25][CH2:26][CH2:27]4)[CH2:20][CH2:21]3)[n:10][cH:11][cH:12]2)[cH:28][cH:29]1.[c:31]1([CH2:37][C:38](=[O:39])[N:40]=[C:41]=[O:42])[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[NH:1]([c:2]1[cH:3][c:4]([F:30])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][N:24]4[CH2:25][CH2:26][CH2:27]4)[CH2:20][CH2:21]3)[n:10][cH:11][cH:12]2)[cH:28][cH:29]1)[C:41]([NH:40][C:38]([CH2:37][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)=[O:39])=[O:42]
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반응물 5

HCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8058HexaneHCID 12259960Phenylacetyl isocyanateHCID 576777584-[2-(Azetidin-1-yl)ethyl]piperazine-1-carboxylic acid [4-(4-amino-2fluorophenoxy)pyridin-2-yl]amide

생성물 1

HCID 57677442
4-[2-(Azetidin-1-yl)ethyl]piperazine-1-carboxylic acid {4-[2-fluoro-4-(3-phenylacetylureido)phenoxy]pyridin-2-yl}amide

출처 및 근거

ORD 기록
ord-f8643217c6314b4385b5d7c031fd7c1b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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