Ethanol → Methanesulfonic Acid

HRID 166692

반응식

HRID 166692 반응식
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([NH:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[NH:16][c:17]3[cH:18][c:19]([NH:24][c:25]4[n:26][cH:27][cH:28][c:29](-[c:31]5[cH:32][n:33][cH:34][cH:35][cH:36]5)[n:30]4)[c:20]([CH3:23])[cH:21][cH:22]3)[cH:37][cH:38]2)[CH2:6][CH2:7]1.[CH3:39][S:40]([OH:41])(=[O:42])=[O:43].[CH3:44][CH2:45][OH:46]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([NH:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[NH:16][c:17]3[cH:18][c:19]([NH:24][c:25]4[n:26][cH:27][cH:28][c:29](-[c:31]5[cH:32][n:33][cH:34][cH:35][cH:36]5)[n:30]4)[c:20]([CH3:23])[cH:21][cH:22]3)[cH:37][cH:38]2)[CH2:6][CH2:7]1.[CH3:39][S:40](=[O:41])(=[O:42])[OH:43]

참가 물질

5

반응물 3

HCID 702EthanolHCID 6395Methanesulfonic AcidHCID 98924924-(4-methylpiperazin-1-ylaminomethyl)-N-[4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-yl)aminophenyl]benzamide

생성물 2

HCID 6395Methanesulfonic AcidHCID 98924924-(4-methylpiperazin-1-ylaminomethyl)-N-[4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-yl)aminophenyl]benzamide

출처 및 근거

ORD 기록
ord-aedab33487904985887a6b658b4ae762
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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