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Dimethyl Sulfoxide → HCID 178493655, 화합물

HRID 117773
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HRID 117773 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1([CH3:16])[CH2:10][NH:11][CH2:12][C:13]12[CH2:14][CH2:15]2.[CH3:42][CH2:43][OH:44].[CH3:45][S:46](=[O:47])[CH3:48].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[F:17][B:18][F:19].[F:20][c:21]1[cH:22][c:23]2[c:24](=[O:41])[c:25]([C:38](=[O:39])[OH:40])[cH:26][n:27]([CH:34]3[CH:35]([F:37])[CH2:36]3)[c:28]2[c:29]([O:32][CH3:33])[c:30]1[F:31].[OH2:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1([CH3:16])[CH2:10][N:11]([c:30]2[c:21]([F:20])[cH:22][c:23]3[c:24](=[O:41])[c:25]([C:38](=[O:39])[OH:40])[cH:26][n:27]([CH:34]4[CH:35]([F:37])[CH2:36]4)[c:28]3[c:29]2[O:32][CH3:33])[CH2:12][C:13]12[CH2:14][CH2:15]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 679Dimethyl SulfoxideHCID 702EthanolHCID 962WaterHCID 8471TriethylamineHCID 139565DifluoroboraneHCID 222369256,7-Difluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acidHCID 57758641tert-Butyl N-(7-methyl-5-azaspiro-[2.4]heptan-7-yl)carbamate

생성물 1

HCID 178493655HCID 178493655, 화합물

출처 및 근거

ORD 기록
ord-c2588c701cbf4d71995c3bbc7ad1c87f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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