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Dimethylformamide → 2-[[2-[[4-(Cyclopropylmethoxy)benzoyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]ethyl acetate

HRID 290316
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HRID 290316 반응식
[C:15]([CH3:16])(=[O:17])[O:18][CH2:19][CH2:20][NH:21][C:22]([CH:23]([CH2:24][c:25]1[cH:26][cH:27][c:28]([O:31][C:32]([F:33])([F:34])[F:35])[cH:29][cH:30]1)[NH2:36])=[O:37].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH:1]1([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]2)[CH2:2][CH2:3]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[P:38]([C:39]#[N:40])([O:41][CH2:42][CH3:43])([O:44][CH2:45][CH3:46])=[O:47]>>[CH:1]1([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([C:10](=[O:12])[NH:36][CH:23]([C:22]([NH:21][CH2:20][CH2:19][O:18][C:15]([CH3:16])=[O:17])=[O:37])[CH2:24][c:25]3[cH:26][cH:27][c:28]([O:31][C:32]([F:33])([F:34])[F:35])[cH:29][cH:30]3)[cH:13][cH:14]2)[CH2:2][CH2:3]1
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반응물 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 76257Diethyl cyanophosphonateHCID 226453014-(Cyclopropylmethoxy)benzoic acidHCID 579720962-[[2-Amino-3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]ethyl acetate

생성물 1

HCID 57972118
2-[[2-[[4-(Cyclopropylmethoxy)benzoyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]ethyl acetate

출처 및 근거

ORD 기록
ord-6dc7f9a0f82740b182c61be4bd37cd42
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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