Formic Acid → 6-(4-Carboxymethyl-phenylethynyl)-4,4,7-trimethyl-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid ethyl ester

HRID 162579Notes

Reaction equation

HRID 162579 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][C:9]([CH3:33])([CH3:34])[c:10]2[cH:11][c:12]([C:17]#[C:18][c:19]3[cH:20][cH:21][c:22]([CH2:25][C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:23][cH:24]3)[c:13]([CH3:16])[cH:14][c:15]21.[CH2:39]1[O:40][CH2:41][CH2:42][O:43][CH2:44]1.[CH:35]([OH:36])=[O:37].[OH2:38]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][C:9]([CH3:33])([CH3:34])[c:10]2[cH:11][c:12]([C:17]#[C:18][c:19]3[cH:20][cH:21][c:22]([CH2:25][C:26](=[O:27])[OH:28])[cH:23][cH:24]3)[c:13]([CH3:16])[cH:14][c:15]21

Participants

5

Reactant 4

HCID 284Formic AcidHCID 962WaterHCID 312751,4-DioxaneHCID 690738306-(4-tert-Butoxycarbonylmethyl-phenylethynyl)-4,4,7-trimethyl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid ethyl ester

Product 1

HCID 588834526-(4-Carboxymethyl-phenylethynyl)-4,4,7-trimethyl-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-16b2040bab2647f78eeb287559eb9258
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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