Ammonium → Tert-butyl 4-((methoxycarbonyl)methyl)benzoate

HRID 674722

Reaction equation

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH2:9]([Li:10])[CH2:11][CH2:12][CH3:13].[CH3:14][N:15]1[CH2:16][CH2:17][CH2:18][N:19]([CH3:20])[C:21]1=[O:22].[CH3:23][c:24]1[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:35][cH:36]1.[CH:2]([NH:3][CH:4]([CH3:5])[CH3:6])([CH3:7])[CH3:8].[Cl-:42].[Cl:37][C:38](=[O:39])[O:40][CH3:41].[NH4+:43].[O:1].[OH2:49]>>[CH2:23]([c:24]1[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:35][cH:36]1)[C:38](=[O:39])[O:40][CH3:41]

Participants

Reactant 9

HCID 223Ammonium

HCID 312Chloride

HCID 962Water2×

HCID 6586Methyl chloroformate

HCID 7912Diisopropylamine

HCID 8028Tetrahydrofuran

HCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

HCID 116297491,1-Dimethylethyl 4-methylbenzoate

HCID 178418339Butyllithium

Product 1

HCID 57611856Tert-butyl 4-((methoxycarbonyl)methyl)benzoate

Sources & evidence

ORD record: ord-8dfef2319421458c9db33de08d31f269
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Linked notes

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