Acetic Acid → Methyl 4-{[cyclohexyl(3-methylfuro[3,2-b]pyridin-2-yl)methyl]amino}benzoate

HRID 1127369Notes

Reaction equation

HRID 1127369 reaction equation
[C:30](=[O:31])([O-:32])[OH:33].[C:35]([BH3-:36])#[N:37].[CH2:53]([Cl:54])[Cl:55].[CH3:49][C:50](=[O:51])[OH:52].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH:1]1([C:7](=[O:8])[c:9]2[c:10]([CH3:18])[c:11]3[n:12][cH:13][cH:14][cH:15][c:16]3[o:17]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:44].[Cl-:46].[Cl-:47].[Cl-:48].[NH2:19][c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]1.[Na+:34].[Na+:38].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[Ti+4:45]>>[CH:1]1([CH:7]([c:9]2[c:10]([CH3:18])[c:11]3[n:12][cH:13][cH:14][cH:15][c:16]3[o:17]2)[NH:19][c:20]2[cH:21][cH:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]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 66777549Cyclohexyl(3-methylfuro[3,2-b]pyridin-2-yl)methanone

Product 1

HCID 66777358Methyl 4-{[cyclohexyl(3-methylfuro[3,2-b]pyridin-2-yl)methyl]amino}benzoate

Sources & evidence

ORD record
ord-c59e4a47391147948db3bf3e8d70eed0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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