Methanol → 4-Hydroxy-6-oxo-3-{2'-[({2-[4-(trifluoromethyl)phenyl]ethyl}amino)methyl]-1,1'-biphenyl-4-yl}-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

HRID 89465Notes

Reaction equation

HRID 89465 reaction equation
[CH3:41][OH:42].[CH:1](=[O:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][s:17][c:18]4[nH:19][c:20](=[O:27])[c:21]([C:25]#[N:26])[c:22]([OH:24])[c:23]34)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1.[Cl:43][CH2:44][Cl:45].[F:28][C:29]([c:30]1[cH:31][cH:32][c:33]([CH2:36][CH2:37][NH2:38])[cH:34][cH:35]1)([F:39])[F:40]>>[CH2:1]([c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][s:17][c:18]4[nH:19][c:20](=[O:27])[c:21]([C:25]#[N:26])[c:22]([OH:24])[c:23]34)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1)[NH:38][CH2:37][CH2:36][c:33]1[cH:32][cH:31][c:30]([C:29]([F:28])([F:39])[F:40])[cH:35][cH:34]1

Participants

5

Reactant 4

HCID 887MethanolHCID 6344DichloromethaneHCID 19881062-[4-(Trifluoromethyl)phenyl]ethan-1-amineHCID 546899423-(2'-Formyl-1,1'-biphenyl-4-yl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

Product 1

HCID 546780564-Hydroxy-6-oxo-3-{2'-[({2-[4-(trifluoromethyl)phenyl]ethyl}amino)methyl]-1,1'-biphenyl-4-yl}-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

Sources & evidence

ORD record
ord-048d8362e93c4f21bd52df40245bd5e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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