1,2-Dichloroethane → Methyl 3-bromo-2-fluoro-6-methyl-5-[(oxan-4-yl)amino]benzoate

HRID 2321300Notes

Reaction equation

HRID 2321300 reaction equation
[C:26]([O:27][BH-:28]([O:29][C:30](=[O:31])[CH3:32])[O:33][C:34](=[O:35])[CH3:36])(=[O:37])[CH3:38].[CH3:22][C:23](=[O:24])[OH:25].[Cl:45][CH2:46][CH2:47][Cl:48].[NH2:1][c:2]1[c:3]([CH3:14])[c:4]([C:5](=[O:6])[O:7][CH3:8])[c:9]([F:13])[c:10]([Br:12])[cH:11]1.[Na+:39].[Na+:44].[O-:40][C:41]([OH:42])=[O:43].[O:15]1[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]1.[OH2:49]>>[NH:1]([c:2]1[c:3]([CH3:14])[c:4]([C:5](=[O:6])[O:7][CH3:8])[c:9]([F:13])[c:10]([Br:12])[cH:11]1)[CH:18]1[CH2:17][CH2:16][O:15][CH2:20][CH2:19]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 121599Tetrahydro-4H-pyran-4-oneHCID 2724942TriacetoxyborohydrideHCID 84076173Methyl 3-amino-5-bromo-6-fluoro-2-methylbenzoate

Product 1

HCID 86672662Methyl 3-bromo-2-fluoro-6-methyl-5-[(oxan-4-yl)amino]benzoate

Sources & evidence

ORD record
ord-73040f394386492baf81881c3deb7b7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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