Acetic Acid → Methyl 4-({cyclohexyl[3-methyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl}amino)benzoate

HRID 1566959Notes

Reaction equation

HRID 1566959 reaction equation
[C:34](=[O:35])([O-:36])[OH:37].[C:39]([BH3-:40])#[N:41].[CH2:57]([Cl:58])[Cl:59].[CH3:53][C:54](=[O:55])[OH:56].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[CH:1]1([C:7](=[O:8])[c:9]2[c:10]([CH3:22])[c:11]3[n:12][cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][c:16]3[s:17]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:48].[Cl-:50].[Cl-:51].[Cl-:52].[NH2:23][c:24]1[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]1.[Na+:38].[Na+:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[Ti+4:49]>>[CH:1]1([CH:7]([c:9]2[c:10]([CH3:22])[c:11]3[n:12][cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][c:16]3[s:17]2)[NH:23][c:24]2[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]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 66778802Cyclohexyl[3-methyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methanone

Product 1

HCID 66778478Methyl 4-({cyclohexyl[3-methyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl}amino)benzoate

Sources & evidence

ORD record
ord-b34575001682444ba67411cae664a329
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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