Acetate → HCID 18957140, compound

HRID 1536272Notes

Reaction equation

HRID 1536272 reaction equation
[CH3:13][C:14](=[O:15])[O-:16].[CH3:17][CH:18]([CH3:19])[c:20]1[c:21]([NH:29][C:30]([N:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[n:39][n:40][n:41]([CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][OH:51])[n:42]2)=[O:52])[c:22]([CH:26]([CH3:27])[CH3:28])[cH:23][cH:24][cH:25]1.[CH3:53][CH2:54][O:55][CH2:56][CH3:57].[Cl:58][CH2:59][Cl:60].[Na+:12].[O:1]=[Cr:2]([Cl:3])([O-:4])=[O:5].[nH+:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1>>[CH3:17][CH:18]([CH3:19])[c:20]1[c:21]([NH:29][C:30]([N:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[n:39][n:40][n:41]([CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH:50]=[O:51])[n:42]2)=[O:52])[c:22]([CH:26]([CH3:27])[CH3:28])[cH:23][cH:24][cH:25]1

Participants

8

Reactant 7

HCID 175AcetateHCID 923Sodium ionHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 4989215PyridiniumHCID 18957142HCID 18957142, compoundHCID 178418299HCID 178418299, compound

Product 1

HCID 18957140HCID 18957140, compound

Sources & evidence

ORD record
ord-475d63ad5225458fa0219864b0511a8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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