Hydrochloric Acid → HCID 68762995, compound

HRID 188151Notes

Reaction equation

HRID 188151 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl:1][c:2]1[n:3][c:4]([S:22][CH2:23][c:24]2[n:25][c:26](-[c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[s:27][cH:28]2)[c:5]([C:20]#[N:21])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][OH:19])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9].[ClH:36].[F:37][C:38]1([F:44])[CH2:39][NH:40][CH2:41][CH2:42][CH2:43]1.[OH2:57]>>[c:2]1([N:40]2[CH2:39][C:38]([F:37])([F:44])[CH2:43][CH2:42][CH2:41]2)[n:3][c:4]([S:22][CH2:23][c:24]2[n:25][c:26](-[c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[s:27][cH:28]2)[c:5]([C:20]#[N:21])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][OH:19])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 27583503,3-DifluoropiperidineHCID 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 68762995HCID 68762995, compound

Sources & evidence

ORD record
ord-37d434a3a03c4a99a90932db5056b01a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…