Acetic Acid → HCID 57781094, compound

HRID 145449Notes

Reaction equation

HRID 145449 reaction equation
[CH2:21]([CH3:22])[N:23]([C:24]([c:25]1[c:26]([CH2:31][n:32]2[cH:33][n:34][cH:35][c:36]2[I:37])[cH:27][cH:28][cH:29][cH:30]1)=[O:38])[CH2:39][CH3:40].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:14][CH:15]([N-:16][CH:17]([CH3:18])[CH3:19])[CH3:20].[CH3:41][C:42]([CH3:43])=[O:44].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH3:57][C:58](=[O:59])[OH:60].[CH3:8][CH2:9][CH2:10][CH2:11][Li:12].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Li+:13].[OH2:50]>>[CH2:21]([CH3:22])[N:23]([C:24]([c:25]1[c:26]([CH:31]([n:32]2[cH:33][n:34][cH:35][c:36]2[I:37])[C:42]([CH3:41])([CH3:43])[OH:44])[cH:27][cH:28][cH:29][cH:30]1)=[O:38])[CH2:39][CH3:40]

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 180AcetoneHCID 962WaterHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 5062348DiisopropylamideHCID 57781104HCID 57781104, compoundHCID 178418339Butyllithium

Product 1

HCID 57781094HCID 57781094, compound

Sources & evidence

ORD record
ord-ff368bb7f1f84f87a44b7498c13b0440
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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