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Methanesulfonic Acid → HCID 178429882, 화합물

HRID 1223993
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HRID 1223993 반응식
[C:51](#[N:52])[c:53]1[cH:54][c:55]2[cH:56][cH:57][cH:58][c:59]([N:63]3[CH2:64][CH:65]([CH3:69])[NH:66][CH2:67][CH2:68]3)[c:60]2[cH:61][cH:62]1.[CH3:21][S:22](=[O:23])(=[O:24])[Cl:25].[CH3:26][S:27]([O:28][CH2:29][CH2:30][CH:31]1[c:32]2[cH:33][cH:34][c:35]([C:36]([NH2:37])=[O:38])[cH:39][c:40]2[CH2:41][CH2:42][O:43]1)(=[O:44])=[O:45].[CH3:46][S:47]([OH:48])(=[O:49])=[O:50].[OH:1][CH2:2][CH2:3][CH:4]1[O:5][CH2:6][CH2:7][c:8]2[c:9]1[cH:10][cH:11][c:12]([CH2:14][N:15]1[C:16](=[O:20])[O:17][CH2:18][CH2:19]1)[cH:13]2>>[CH2:2]([CH2:3][CH:4]1[O:5][CH2:6][CH2:7][c:8]2[c:9]1[cH:10][cH:11][c:12]([CH2:14][N:15]1[C:16](=[O:20])[O:17][CH2:18][CH2:19]1)[cH:13]2)[N:66]1[CH:65]([CH3:69])[CH2:64][N:63]([c:59]2[cH:58][cH:57][cH:56][c:55]3[cH:54][c:53]([C:51]#[N:52])[cH:62][cH:61][c:60]32)[CH2:68][CH2:67]1
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반응물 5

HCID 6395Methanesulfonic AcidHCID 31297Methanesulfonyl chlorideHCID 155404812-[6-(aminocarbonyl)-3,4-dihydro-1H-2-benzopyran-1-yl]ethyl methanesulfonateHCID 699042005-(3-Methylpiperazin-1-yl)naphthalene-2-carbonitrileHCID 178519154HCID 178519154, 화합물

생성물 1

HCID 178429882HCID 178429882, 화합물

출처 및 근거

ORD 기록
ord-fd2438a4ad744db882d1bbd33a1b4da4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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