Acetic Acid → Methyl 4-amino-3-ethynylbenzoate

HRID 180885Notes

Reaction equation

HRID 180885 reaction equation
[CH3:19][CH2:20][CH2:21][CH2:22][N+:23]([CH2:24][CH2:25][CH2:26][CH3:27])([CH2:28][CH2:29][CH2:30][CH3:31])[CH2:32][CH2:33][CH2:34][CH3:35].[CH3:36][C:37](=[O:38])[OH:39].[Cl:46][CH2:47][Cl:48].[F-:18].[NH2:1][c:2]1[c:3]([C:12]#[C:13][Si:14]([CH3:15])([CH3:16])[CH3:17])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:40]>>[NH2:1][c:2]1[c:3]([C:12]#[CH:13])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 59800132HCID 59800132, compound

Product 1

HCID 640700Methyl 4-amino-3-ethynylbenzoate

Sources & evidence

ORD record
ord-f4b2012609e64b9fa1cbd8d4f720cb5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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