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Methanol → HCID 178504417, 화합물

HRID 91319
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HRID 91319 반응식
[C:25]([CH3:26])([CH3:27])([CH3:28])[CH:29]1[CH2:30][C:31]([CH2:47][O:48][S:49]([CH3:50])(=[O:51])=[O:52])([O:53][SiH:54]([CH3:55])[CH3:56])[N:32]([C:34](=[O:35])[O:36][CH2:37][c:38]2[cH:39][cH:40][c:41]([N+:44](=[O:45])[O-:46])[cH:42][cH:43]2)[CH2:33]1.[CH3:20][OH:21].[CH3:22][O-:23].[CH3:57][OH:58].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Na+:24].[SH:1][CH:2]1[CH2:3][N:4]([C:7](=[O:8])[O:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[CH2:5][CH2:6]1>>[S:1]([CH:2]1[CH2:3][N:4]([C:7](=[O:8])[O:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[CH2:5][CH2:6]1)[CH2:47][C:31]1([O:53][SiH:54]([CH3:55])[CH3:56])[CH2:30][CH:29]([C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:33][N:32]1[C:34](=[O:35])[O:36][CH2:37][c:38]1[cH:39][cH:40][c:41]([N+:44](=[O:45])[O-:46])[cH:42][cH:43]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 887Methanol2회HCID 923Sodium IonHCID 8857Ethyl AcetateHCID 3826051MethoxideHCID 11119548(S)-3-mercapto-1-(p-nitrobenzyloxycarbonyl)pyrrolidineHCID 178504414HCID 178504414, 화합물

생성물 1

HCID 178504417
HCID 178504417, 화합물

출처 및 근거

ORD 기록
ord-ab919221f2454e87a53f0d200df955aa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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