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Sodium Ion → N-{3,3-dimethyl-2-[3-(4-o-tolyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-6-carbonyl}methanesulfonamide

HRID 2155987
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HRID 2155987 반응식
[C:42]([n:43]1[cH:44][cH:45][n:46][cH:47]1)([n:48]1[cH:49][cH:50][n:51][cH:52]1)=[O:53].[CH3:3][S:4](=[O:5])(=[O:6])[NH2:7].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[CH3:8][C:9]1([CH3:41])[CH:10]([c:22]2[cH:23][c:24]([N:28]3[CH2:29][CH2:30][N:31]([c:34]4[c:35]([CH3:40])[cH:36][cH:37][cH:38][cH:39]4)[CH2:32][CH2:33]3)[cH:25][cH:26][cH:27]2)[NH:11][c:12]2[cH:13][cH:14][c:15]([C:19](=[O:20])[OH:21])[cH:16][c:17]2[CH2:18]1.[H-:1].[Na+:2]>>[CH3:3][S:4](=[O:5])(=[O:6])[NH:7][C:19]([c:15]1[cH:14][cH:13][c:12]2[c:17]([cH:16]1)[CH2:18][C:9]([CH3:8])([CH3:41])[CH:10]([c:22]1[cH:23][c:24]([N:28]3[CH2:29][CH2:30][N:31]([c:34]4[c:35]([CH3:40])[cH:36][cH:37][cH:38][cH:39]4)[CH2:32][CH2:33]3)[cH:25][cH:26][cH:27]1)[NH:11]2)=[O:20]
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반응물 6

HCID 923Sodium IonHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 72879MethanesulfonamideHCID 166653HydrideHCID 58476251HCID 58476251, 화합물

생성물 1

HCID 58476250
N-{3,3-dimethyl-2-[3-(4-o-tolyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-6-carbonyl}methanesulfonamide

출처 및 근거

ORD 기록
ord-cdaefa0332304a05a0e9b4c9d3f8b1f0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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