Acetic Acid → HCID 87460506, compound

HRID 1138018Notes

Reaction equation

HRID 1138018 reaction equation
[CH2:41]([O:42][CH2:43][CH3:44])[CH3:45].[CH3:1][O:2][C:3]([C:4]1([NH:11][C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:5][C:6]([CH3:10])=[CH:7][CH:8]=[N:9]1)=[O:31].[CH3:32][CH:33]([CH2:34][AlH:35][CH2:36][CH:37]([CH3:38])[CH3:39])[CH3:40].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:54][C:55]([CH3:56])=[O:57].[CH3:65][C:66](=[O:67])[OH:68].[NH3:46].[c:58]1([CH3:59])[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[O:2]=[CH:3][C:4]1([NH:11][C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:5][C:6]([CH3:10])=[CH:7][CH:8]=[N:9]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 222AmmoniaHCID 1140Toluene2×HCID 3283Diethyl EtherHCID 14487Diisobutylaluminum hydrideHCID 68462325HCID 68462325, compound

Product 1

HCID 87460506HCID 87460506, compound

Sources & evidence

ORD record
ord-97e2a65577c948fe858e0fdfbc4dd582
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…