Sodium ion → 4-[2-(N-methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl isoquinoline-5-sulfonate

HRID 307595Notes

Reaction equation

HRID 307595 reaction equation
[CH3:53][I:54].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[H-:51].[Na+:52].[OH2:55].[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6]([S:11](=[O:12])(=[O:13])[NH:14][CH:15]([CH2:16][c:17]3[cH:18][cH:19][c:20]([O:23][S:24](=[O:25])(=[O:26])[c:27]4[c:28]5[cH:29][cH:30][n:31][cH:32][c:33]5[cH:34][cH:35][cH:36]4)[cH:21][cH:22]3)[C:37](=[O:38])[N:39]3[CH2:40][CH2:41][N:42]([c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[CH2:43][CH2:44]3)[cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6]([S:11](=[O:12])(=[O:13])[N:14]([CH:15]([CH2:16][c:17]3[cH:18][cH:19][c:20]([O:23][S:24](=[O:25])(=[O:26])[c:27]4[c:28]5[cH:29][cH:30][n:31][cH:32][c:33]5[cH:34][cH:35][cH:36]4)[cH:21][cH:22]3)[C:37](=[O:38])[N:39]3[CH2:40][CH2:41][N:42]([c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[CH2:43][CH2:44]3)[CH3:53])[cH:7][cH:8][cH:9][c:10]12

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 166653HydrideHCID 19796234HCID 19796234, compound

Product 1

HCID 38384-[2-(N-methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl isoquinoline-5-sulfonate

Sources & evidence

ORD record
ord-2c994a06fbd34c6194433af55f305b78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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