Acetic Acid → HCID 21107132, compound

HRID 151984Notes

Reaction equation

HRID 151984 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:9]([c:10]([O:12][CH3:13])[cH:11]1)[C:8](=[O:14])[CH2:7][CH2:6][C:5]2([CH3:15])[CH3:16].[C:21]([BH3-:22])#[N:23].[C:25](=[O:26])([O-:27])[O-:28].[CH3:31][I:32].[CH3:36][C:37]#[N:38].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[CH3:51][C:52](=[O:53])[OH:54].[CH:17]1([NH2:20])[CH2:18][CH2:19]1.[Cl:33][CH2:34][Cl:35].[K+:29].[K+:30].[Na+:24].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH2:39]>>[Br:1][c:2]1[cH:3][c:4]2[c:9]([c:10]([O:12][CH3:13])[cH:11]1)[CH:8]([N:20]([CH:17]1[CH2:18][CH2:19]1)[CH3:21])[CH2:7][CH2:6][C:5]2([CH3:15])[CH3:16]

Participants

13

Reactant 12

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 923Sodium ion3×HCID 962WaterHCID 3283Diethyl EtherHCID 6328Methyl iodideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 19660Carbonate Ion2×HCID 69828CyclopropylamineHCID 498716Cyano-borohydrideHCID 21107223HCID 21107223, compound

Product 1

HCID 21107132HCID 21107132, compound

Sources & evidence

ORD record
ord-7deb1fabd18c4e90ba8215e104f7030c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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