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Acetic Acid → HCID 178473556, 화합물

HRID 91003
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HRID 91003 반응식
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH3:57][C:58](=[O:59])[OH:60].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[NH2:27][CH2:28][CH:29]([OH:30])[c:31]1[cH:32][cH:33][c:34]([OH:42])[c:35]([NH:37][S:38](=[O:39])(=[O:40])[CH3:41])[cH:36]1.[Na+:56].[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[NH:17][CH2:18][C:19](=[O:20])[NH:21][C:22]([O:23][CH2:24][CH3:25])=[O:26])[cH:12][cH:13]2)[CH2:6][CH2:7]1>>[CH:2]1([NH:27][CH2:28][CH:29]([OH:30])[c:31]2[cH:32][cH:33][c:34]([OH:42])[c:35]([NH:37][S:38](=[O:39])(=[O:40])[CH3:41])[cH:36]2)[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[NH:17][CH2:18][C:19](=[O:20])[NH:21][C:22]([O:23][CH2:24][CH3:25])=[O:26])[cH:12][cH:13]2)[CH2:6][CH2:7]1
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반응물 6

HCID 176Acetic AcidHCID 923Sodium IonHCID 6228DimethylformamideHCID 2724942TriacetoxyborohydrideHCID 9837752N-[5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl]methanesulphonamideHCID 22713393ethyl N-[2-[[4-(4-oxopiperidin-1-yl)phenyl]sulfonylamino]acetyl]carbamate

생성물 1

HCID 178473556
HCID 178473556, 화합물

출처 및 근거

ORD 기록
ord-c76ef78b5a4c49bc86b6361bca88e22a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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