Ethanol → HCID 22347164, compound

HRID 1142604Notes

Reaction equation

HRID 1142604 reaction equation
[Br:26][c:27]1[cH:28][cH:29][c:30]([N+:31]([O-:32])=[O:33])[n:34][cH:35]1.[CH3:70][N:71]1[CH2:72][CH2:73][CH2:74][C:75]1=[O:76].[CH3:77][CH2:78][OH:79].[CH3:80][N:81]([CH3:82])[CH:83]=[O:84].[H-:24].[H:68][H:69].[N+:36]([O-:37])(=[O:38])[c:39]1[cH:40][cH:41][c:42](-[n:45]2[n:46][c:47](-[c:55]3[cH:56][cH:57][c:58]([O:61][c:62]4[cH:63][cH:64][cH:65][cH:66][cH:67]4)[cH:59][cH:60]3)[c:48]3[c:49]2[n:50][cH:51][n:52][c:53]3[NH2:54])[cH:43][n:44]1.[Na+:25].[O:1]([c:2]1[cH:3][cH:4][c:5](-[c:6]2[c:7]3[c:8]([n:9][cH:10][n:11][c:12]3[NH2:13])[nH:14][n:15]2)[cH:16][cH:17]1)[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[NH2:36][c:39]1[cH:40][cH:41][c:42](-[n:45]2[n:46][c:47](-[c:55]3[cH:56][cH:57][c:58]([O:61][c:62]4[cH:63][cH:64][cH:65][cH:66][cH:67]4)[cH:59][cH:60]3)[c:48]3[c:49]2[n:50][cH:51][n:52][c:53]3[NH2:54])[cH:43][n:44]1

Participants

10

Reactant 9

HCID 702EthanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 13387N-methyl-2-pyrrolidoneHCID 166653HydrideHCID 8176205-Bromo-2-nitropyridineHCID 22347268HCID 22347268, compoundHCID 178418361HCID 178418361, compoundHCID 178508717HCID 178508717, compound

Product 1

HCID 22347164HCID 22347164, compound

Sources & evidence

ORD record
ord-29ececb00e6d4b408afe8c3845c385e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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