Acetic Acid → 2-(4-Amino-3-cyclopropylmethoxy-phenyl)-4-methyl-pentanoic acid cyclopropylmethyl ester

HRID 91354Notes

Reaction equation

HRID 91354 reaction equation
[C:27]([OH:28])(=[O:29])[CH3:30].[CH:1]1([CH2:4][O:5][C:6]([CH:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[c:12]2[cH:13][c:14]([O:21][CH2:22][CH:23]3[CH2:24][CH2:25]3)[c:15]([N+:18]([O-:19])=[O:20])[cH:16][cH:17]2)=[O:26])[CH2:2][CH2:3]1.[OH2:31]>>[CH:1]1([CH2:4][O:5][C:6]([CH:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[c:12]2[cH:13][c:14]([O:21][CH2:22][CH:23]3[CH2:24][CH2:25]3)[c:15]([NH2:18])[cH:16][cH:17]2)=[O:26])[CH2:2][CH2:3]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 57995586HCID 57995586, compound

Product 1

HCID 579955632-(4-Amino-3-cyclopropylmethoxy-phenyl)-4-methyl-pentanoic acid cyclopropylmethyl ester

Sources & evidence

ORD record
ord-e47fa2f652e14728babbeca9211d1192
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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