Sodium ion → HCID 58346719, compound

HRID 662513Notes

Reaction equation

HRID 662513 reaction equation
[Cl:3][c:4]1[cH:5][c:6]([NH:7][c:8]2[c:9]3[c:10]4[c:21]([s:22][c:23]3[n:24][cH:25][n:26]2)-[c:14]2[c:13]([n:20][n:16]([CH2:17][CH2:18][OH:19])[cH:15]2)[CH2:12][CH2:11]4)[cH:27][cH:28][c:29]1[O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][c:36]([F:37])[cH:38]1.[Cl:41][c:42]1[cH:43][c:44]([N:57]([c:58]2[n:59][cH:60][n:61][c:62]3[c:63]2[c:64]2[c:65]([s:77]3)-[c:66]3[cH:67][n:68]([CH2:73][CH2:74][O:75][CH3:76])[n:69][c:70]3[CH2:71][CH2:72]2)[CH3:78])[cH:45][cH:46][c:47]1[O:48][CH2:49][c:50]1[cH:51][c:52]([F:56])[cH:53][cH:54][cH:55]1.[H-:1].[I:39][CH3:40].[Na+:2].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[OH2:79]>>[Cl:41][c:42]1[cH:43][c:44]([NH:57][c:58]2[n:59][cH:60][n:61][c:62]3[c:63]2[c:64]2[c:65]([s:77]3)-[c:66]3[cH:67][n:68]([CH2:73][CH2:74][O:75][CH3:76])[n:69][c:70]3[CH2:71][CH2:72]2)[cH:45][cH:46][c:47]1[O:48][CH2:49][c:50]1[cH:51][c:52]([F:56])[cH:53][cH:54][cH:55]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 166653HydrideHCID 58346526HCID 58346526, compoundHCID 67313594HCID 67313594, compound

Product 1

HCID 58346719HCID 58346719, compound

Sources & evidence

ORD record
ord-1f2c963d5043403ab0a91486503d61b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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