Hydrochloric Acid → HCID 68763569, compound

HRID 2129838Notes

Reaction equation

HRID 2129838 reaction equation
[CH2:2]([CH3:3])[NH:4][CH2:5][C:6]([F:7])([F:8])[F:9].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[Cl:10][c:11]1[n:12][c:13]([S:31][CH2:32][c:33]2[n:34][c:35](-[c:38]3[cH:39][cH:40][c:41]([Cl:44])[cH:42][cH:43]3)[s:36][cH:37]2)[c:14]([C:29]#[N:30])[c:15](-[c:19]2[cH:20][cH:21][c:22]([O:25][CH2:26][CH2:27][OH:28])[cH:23][cH:24]2)[c:16]1[C:17]#[N:18].[ClH:1].[ClH:45].[F:46][C:47]([F:48])([F:49])[CH2:50][NH:51][CH3:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:58]>>[CH2:2]([CH3:3])[N:4]([CH2:5][C:6]([F:7])([F:8])[F:9])[c:11]1[n:12][c:13]([S:31][CH2:32][c:33]2[n:34][c:35](-[c:38]3[cH:39][cH:40][c:41]([Cl:44])[cH:42][cH:43]3)[s:36][cH:37]2)[c:14]([C:29]#[N:30])[c:15](-[c:19]2[cH:20][cH:21][c:22]([O:25][CH2:26][CH2:27][OH:28])[cH:23][cH:24]2)[c:16]1[C:17]#[N:18]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 5203012,2,2-trifluoro-N-methylethanamineHCID 12769779N-Ethyl-2,2,2-trifluoroethan-1-amineHCID 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 68763569HCID 68763569, compound

Sources & evidence

ORD record
ord-aa0a5d0f3e20443b946403e0e5ac0943
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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