Methanesulfonic Acid → Methanesulfonic Acid

HRID 1116040노트

반응식

HRID 1116040 반응식
[CH3:1][c:2]1[c:3]2[c:8]([c:9]([N:12]3[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]3)[cH:10][cH:11]1)[CH2:7][CH:6]([NH:19][C:20]([c:21]1[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:25][cH:26]1)=[O:33])[CH2:5][CH2:4]2.[CH3:34][S:35]([OH:36])(=[O:37])=[O:38].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1>>[CH3:1][c:2]1[c:3]2[c:8]([c:9]([N:12]3[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]3)[cH:10][cH:11]1)[CH2:7][CH:6]([NH:19][C:20]([c:21]1[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:25][cH:26]1)=[O:33])[CH2:5][CH2:4]2.[CH3:34][S:35](=[O:36])(=[O:37])[OH:38]

참가 물질

5

반응물 3

HCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 9828909N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide

생성물 2

HCID 6395Methanesulfonic AcidHCID 9828909N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide

출처 및 근거

ORD 기록
ord-4c74ae2a0bc84ef3aa0eda839cb013aa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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