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Dimethylformamide → Methanesulfonic Acid

HRID 214234
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HRID 214234 반응식
[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][CH:7]1[CH2:8][c:9]2[n:10]([c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[c:17]2[C:18]2=[C:22]([c:23]3[cH:24][n:25]([CH3:32])[c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]34)[C:21](=[O:33])[NH:20][C:19]2=[O:34])[CH2:35][CH2:36]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[NH2:37][C:38]([NH2:39])=[S:40]>>[CH2:6]([CH:7]1[CH2:8][c:9]2[n:10]([c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[c:17]2[C:18]2=[C:22]([c:23]3[cH:24][n:25]([CH3:32])[c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]34)[C:21](=[O:33])[NH:20][C:19]2=[O:34])[CH2:35][CH2:36]1)[S:40][C:38](=[NH:37])[NH2:39].[CH3:1][S:2](=[O:3])(=[O:4])[OH:5]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 6228DimethylformamideHCID 2723790ThioureaHCID 196963343-[6,7,8,9-tetrahydro-8-(methylsulphonyloxymethyl)pyrido[1,2-a]indol-10-yl]-4-(1-methyl-3-indolyl)-1H-pyrrole-2,5-dione

생성물 2

HCID 6395Methanesulfonic AcidHCID 19696399[10-[4-(1-Methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl]methyl carbamimidothioate

출처 및 근거

ORD 기록
ord-b0ab39a702ea429caca4195c61c12bde
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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