Hydrochloric Acid → Hydrochloric Acid

HRID 2341477Notes

Reaction equation

HRID 2341477 reaction equation
[CH3:53][CH2:54][OH:55].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][n:6]1[c:7](=[O:20])[nH:8][c:9](=[O:19])[c:10](-[c:12]2[c:13]([CH3:18])[n:14][c:15]([CH3:17])[o:16]2)[cH:11]1.[ClH:46].[F:21][C:22]([c:23]1[cH:24][cH:25][c:26]([C:29]23[CH2:30][NH:31][CH2:32][CH:33]2[CH2:34]3)[cH:27][cH:28]1)([F:35])[F:36].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[CH2:2]([CH2:3][CH2:4][CH2:5][n:6]1[c:7](=[O:20])[nH:8][c:9](=[O:19])[c:10](-[c:12]2[c:13]([CH3:18])[n:14][c:15]([CH3:17])[o:16]2)[cH:11]1)[N:31]1[CH2:30][C:29]2([c:26]3[cH:25][cH:24][c:23]([C:22]([F:21])([F:35])[F:36])[cH:28][cH:27]3)[CH:33]([CH2:32]1)[CH2:34]2.[ClH:1]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 127198481-[4-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexaneHCID 589941871-(4-Chloro-butyl)-5-(2,4-dimethyl-oxazol-5-yl)-1H-pyrimidine-2,4-dione

Product 2

HCID 313Hydrochloric AcidHCID 178432718HCID 178432718, compound

Sources & evidence

ORD record
ord-c337f64774694c349832e07b0019e6fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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