Ethyl Acetate → HCID 54010473, 화합물

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

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 126019201,1',1''-Methanetriyltripiperidine

HCID 20406364HCID 20406364, 화합물

생성물 1

HCID 54010473HCID 54010473, 화합물

출처 및 근거

ORD 기록: ord-58596e265387446e975b068d981bfd7f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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