Acetic Acid → Methyl 4-{[(5-methoxy-3-methyl-1-benzofuran-2-yl)(phenyl)methyl]amino}benzoate

HRID 672963Notes

Reaction equation

HRID 672963 reaction equation
[C:32](=[O:33])([O-:34])[OH:35].[C:37]([BH3-:38])#[N:39].[CH2:55]([Cl:56])[Cl:57].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]([CH3:19])[c:9]([C:11](=[O:12])[c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[o:10]2)[cH:20]1.[CH3:51][C:52](=[O:53])[OH:54].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[Cl-:46].[Cl-:48].[Cl-:49].[Cl-:50].[NH2:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]1.[Na+:36].[Na+:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[Ti+4:47]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]([CH3:19])[c:9]([CH:11]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[NH:21][c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]3)[o:10]2)[cH:20]1

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 312Chloride4×HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 12082Methyl 4-aminobenzoateHCID 114942Titanium cation (4+)HCID 498716Cyano-borohydrideHCID 1473421(5-Methoxy-3-methyl-1-benzofuran-2-yl)(phenyl)methanone

Product 1

HCID 66778047Methyl 4-{[(5-methoxy-3-methyl-1-benzofuran-2-yl)(phenyl)methyl]amino}benzoate

Sources & evidence

ORD record
ord-dcb19ce109474edba006f3901945355f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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