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Ethanol → 3-[4-(azetidine-1-carbonyl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(5-methylpyrazin-2-yl)benzamide

HRID 319094
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HRID 319094 반응식
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:46][CH2:47][OH:48].[H:39][H:40].[N:1]1([C:5](=[O:6])[c:7]2[cH:8][c:9]([Cl:38])[c:10]([O:11][c:12]3[cH:13][c:14]([C:15](=[O:16])[NH:17][c:18]4[n:19][cH:20][c:21]([CH3:24])[n:22][cH:23]4)[cH:25][c:26]([O:28][CH:29]4[C:30](=[O:35])[N:31]([CH3:34])[CH2:32][CH2:33]4)[cH:27]3)[cH:36][cH:37]2)[CH2:2][CH2:3][CH2:4]1>>[N:1]1([C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([O:11][c:12]3[cH:13][c:14]([C:15](=[O:16])[NH:17][c:18]4[n:19][cH:20][c:21]([CH3:24])[n:22][cH:23]4)[cH:25][c:26]([O:28][CH:29]4[C:30](=[O:35])[N:31]([CH3:34])[CH2:32][CH2:33]4)[cH:27]3)[cH:36][cH:37]2)[CH2:2][CH2:3][CH2:4]1
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5

반응물 4

HCID 702EthanolHCID 8028TetrahydrofuranHCID 178418361HCID 178418361, 화합물HCID 178430637HCID 178430637, 화합물

생성물 1

HCID 674863983-[4-(azetidine-1-carbonyl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(5-methylpyrazin-2-yl)benzamide

출처 및 근거

ORD 기록
ord-28819d6bf064427884edfd86501c6f9a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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