Acetic Acid → HCID 59198906, compound

HRID 2318604Notes

Reaction equation

HRID 2318604 reaction equation
[CH3:27][C:28](=[O:29])[OH:30].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH:1]1([c:7]2[n:8](-[c:12]3[cH:13][c:14]([O:25][CH3:26])[c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][c:21]3[N+:22]([O-:23])=[O:24])[cH:9][cH:10][n:11]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[NH3:32].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH2:31]>>[CH:1]1([c:7]2[n:8](-[c:12]3[cH:13][c:14]([O:25][CH3:26])[c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][c:21]3[NH2:22])[cH:9][cH:10][n:11]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 222AmmoniaHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 59198783Methyl 4-(2-cyclohexyl-1H-imidazol-1-yl)-2-methoxy-5-nitrobenzoate

Product 1

HCID 59198906HCID 59198906, compound

Sources & evidence

ORD record
ord-9e08a9d1599f4f728206c7c00f3d5685
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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