Hydrochloric Acid → HCID 68764724, compound

HRID 2128261Notes

Reaction equation

HRID 2128261 reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[Cl:9][c:10]1[n:11][c:12]([S:30][CH2:31][c:32]2[n:33][c:34](-[c:37]3[cH:38][cH:39][c:40]([Cl:43])[cH:41][cH:42]3)[s:35][cH:36]2)[c:13]([C:28]#[N:29])[c:14](-[c:18]2[cH:19][cH:20][c:21]([O:24][CH2:25][CH2:26][OH:27])[cH:22][cH:23]2)[c:15]1[C:16]#[N:17].[ClH:1].[F:2][C:3]([CH2:4][NH:5][CH3:6])([F:7])[F:8].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49]>>[F:2][C:3]([CH2:4][N:5]([CH3:6])[c:10]1[n:11][c:12]([S:30][CH2:31][c:32]2[n:33][c:34](-[c:37]3[cH:38][cH:39][c:40]([Cl:43])[cH:41][cH:42]3)[s:35][cH:36]2)[c:13]([C:28]#[N:29])[c:14](-[c:18]2[cH:19][cH:20][c:21]([O:24][CH2:25][CH2:26][OH:27])[cH:22][cH:23]2)[c:15]1[C:16]#[N:17])([F:7])[F:8]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 5203012,2,2-trifluoro-N-methylethanamineHCID 866438472-Chloro-6-({(2-(4-chlorophenyl)-1,3-thiazol-4-yl)methyl}sulfanyl)-4-(4-(2-hydroxyethoxy)phenyl)pyridine-3,5-dicarbonitrile

Product 1

HCID 68764724HCID 68764724, compound

Sources & evidence

ORD record
ord-5d514ff737354b39a8424120f4df5e6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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