Sodium ion → HCID 141593444, compound

HRID 215152Notes

Reaction equation

HRID 215152 reaction equation
[C:1](#[N:2])[CH2:3][CH2:4][O:5][C:6](=[O:7])[C:8]1=[C:9]([CH3:44])[N:10]([CH3:43])[C:11]([O:39][CH2:40][CH2:41][Cl:42])=[C:12]([C:21]([NH:22][CH2:23][CH2:24][CH:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)=[O:38])[CH:13]1[c:14]1[cH:15][c:16]([Cl:20])[cH:17][cH:18][cH:19]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH3:57][CH:58]([OH:59])[CH3:60].[I-:46].[N-:48]=[N+:49]=[N-:50].[Na+:45].[Na+:47].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65]>>[C:1](#[N:2])[CH2:3][CH2:4][O:5][C:6](=[O:7])[C:8]1=[C:9]([CH3:44])[N:10]([CH3:43])[C:11]([O:39][CH2:40][CH2:41][N:48]=[N+:49]=[N-:50])=[C:12]([C:21]([NH:22][CH2:23][CH2:24][CH:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)=[O:38])[CH:13]1[c:14]1[cH:15][c:16]([Cl:20])[cH:17][cH:18][cH:19]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 3776IsopropanolHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 30165Iodide IonHCID 33558AzideHCID 178429607HCID 178429607, compound

Product 1

HCID 141593444HCID 141593444, compound

Sources & evidence

ORD record
ord-586d1fa4baa349869a1761b57b07bfa9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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