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Methanesulfonic Acid → Methanesulfonic Acid

HRID 169538
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인쇄 미리보기

반응식

HRID 169538 반응식
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([O:13][c:14]3[c:15]([F:45])[cH:16][c:17]([NH:20][C:21](=[O:22])[c:23]4[c:24](=[O:44])[n:25](-[c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)[n:26]([CH2:29][CH:30]([CH3:31])[O:32][C:33]([CH:34]([CH3:35])[NH2:36])=[O:37])[c:27]4[CH3:28])[cH:18][cH:19]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1.[CH3:46][S:47]([OH:48])(=[O:49])=[O:50]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([O:13][c:14]3[c:15]([F:45])[cH:16][c:17]([NH:20][C:21](=[O:22])[c:23]4[c:24](=[O:44])[n:25](-[c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)[n:26]([CH2:29][CH:30]([CH3:31])[O:32][C:33]([CH:34]([CH3:35])[NH2:36])=[O:37])[c:27]4[CH3:28])[cH:18][cH:19]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1.[CH3:46][S:47](=[O:48])(=[O:49])[OH:50]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 6395Methanesulfonic AcidHCID 666706531-[4-[[3-Fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-aminopropanoate

생성물 2

HCID 6395Methanesulfonic AcidHCID 666706531-[4-[[3-Fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-aminopropanoate

출처 및 근거

ORD 기록
ord-9a49669fe4014676b9d681842eb53028
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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