Sodium ion → HCID 18917235, compound

HRID 699846Notes

Reaction equation

HRID 699846 reaction equation
[CH3:47][N:48]1[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]1.[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[I-:55].[Na+:54].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O:7][CH2:11][CH2:12][O:13][CH:14]2[CH2:15][CH2:16][CH2:17][N:18]([C:26]([c:27]3[c:28]([O:43][CH3:44])[cH:29][c:30]([NH:33][C:34]([c:35]4[c:36]([CH3:41])[cH:37][cH:38][cH:39][cH:40]4)=[O:42])[cH:31][cH:32]3)=[O:45])[c:19]3[c:20]2[cH:21][c:22]([F:25])[cH:23][cH:24]3)(=[O:8])=[O:9])[cH:10][cH:46]1>>[CH2:11]([CH2:12][O:13][CH:14]1[CH2:15][CH2:16][CH2:17][N:18]([C:26]([c:27]2[c:28]([O:43][CH3:44])[cH:29][c:30]([NH:33][C:34]([c:35]3[c:36]([CH3:41])[cH:37][cH:38][cH:39][cH:40]3)=[O:42])[cH:31][cH:32]2)=[O:45])[c:19]2[c:20]1[cH:21][c:22]([F:25])[cH:23][cH:24]2)[N:51]1[CH2:50][CH2:49][N:48]([CH3:47])[CH2:53][CH2:52]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 30165Iodide IonHCID 531671-MethylpiperazineHCID 189171765-[2-(p-Toluenesulfonyloxy)ethoxy]-7-fluoro-1-[2-methoxy-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine

Product 1

HCID 18917235HCID 18917235, compound

Sources & evidence

ORD record
ord-868a7fabf390402693d396174cdff0f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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