1,2-Dichloroethane → methyl 5-bromo-2-methyl-3-((tetrahydro-2H-pyran-4-yl)amino)benzoate

HRID 197905Notes

Reaction equation

HRID 197905 reaction equation
[C:25]([O:26][BH-:27]([O:28][C:29](=[O:30])[CH3:31])[O:32][C:33](=[O:34])[CH3:35])(=[O:36])[CH3:37].[CH3:21][C:22](=[O:23])[OH:24].[Cl:44][CH2:45][CH2:46][Cl:47].[NH2:1][c:2]1[c:3]([CH3:13])[c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([Br:12])[cH:11]1.[Na+:38].[Na+:43].[O-:39][C:40]([OH:41])=[O:42].[O:14]1[CH2:15][CH2:16][C:17](=[O:20])[CH2:18][CH2:19]1.[OH2:48]>>[NH:1]([c:2]1[c:3]([CH3:13])[c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([Br:12])[cH:11]1)[CH:17]1[CH2:16][CH2:15][O:14][CH2:19][CH2:18]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 121599Tetrahydro-4H-pyran-4-oneHCID 2724942TriacetoxyborohydrideHCID 24729181Methyl 3-Amino-5-bromo-2-methylbenzoate

Product 1

HCID 70872676methyl 5-bromo-2-methyl-3-((tetrahydro-2H-pyran-4-yl)amino)benzoate

Sources & evidence

ORD record
ord-fbbd6aa32db14a518aeec41b156a5236
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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