Acetic Acid → HCID 10480338, compound

HRID 1206627Notes

Reaction equation

HRID 1206627 reaction equation
[CH3:34][OH:35].[CH3:36][C:37](=[O:38])[OH:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cl:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[c:7]([NH2:28])[n:8][cH:9][c:10](-[c:12]3[cH:13][c:14]4[c:15]([C:21]5=[CH:26][CH2:25][N:24]([CH3:27])[CH2:23][CH2:22]5)[cH:16][nH:17][c:18]4[cH:19][cH:20]3)[cH:11]2)[c:29]([Cl:33])[cH:30][cH:31][cH:32]1>>[Cl:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[c:7]([NH2:28])[n:8][cH:9][c:10](-[c:12]3[cH:13][c:14]4[c:15]([CH:21]5[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]5)[cH:16][nH:17][c:18]4[cH:19][cH:20]3)[cH:11]2)[c:29]([Cl:33])[cH:30][cH:31][cH:32]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 8857Ethyl AcetateHCID 10457822HCID 10457822, compound

Product 1

HCID 10480338HCID 10480338, compound

Sources & evidence

ORD record
ord-1f2554af57644c5b87cace5138083778
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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