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Acetate → Tert-butyl 2-[(4-formylphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

HRID 2127976
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HRID 2127976 반응식
[CH3:1][C:2](=[O:3])[O-:4].[CH3:43][S:44](=[O:45])[CH3:46].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[OH2:42].[OH:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([CH2:11][N:12]2[CH2:13][C:14]3([CH2:15][C:16]2=[O:17])[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]3)[cH:30][cH:31]1.[S:38](=[O:39])(=[O:40])=[O:41].[n:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[O:5]=[CH:6][c:7]1[cH:8][cH:9][c:10]([CH2:11][N:12]2[CH2:13][C:14]3([CH2:15][C:16]2=[O:17])[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]3)[cH:30][cH:31]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 175AcetateHCID 679Dimethyl SulfoxideHCID 962WaterHCID 1049PyridineHCID 8471TriethylamineHCID 24682Sulfur trioxideHCID 67502657Tert-butyl 2-[[4-(hydroxymethyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

생성물 1

HCID 87423993Tert-butyl 2-[(4-formylphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

출처 및 근거

ORD 기록
ord-bf79a0ed646146a791174b0c492f4dcb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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