Hydrochloric Acid → Hydrochloric Acid

HRID 2346551Notes

Reaction equation

HRID 2346551 reaction equation
[CH3:2][c:3]1[cH:4][cH:5][cH:6][c:7](-[c:9]2[c:10](=[O:16])[nH:11][c:12](=[O:15])[nH:13][cH:14]2)[n:8]1.[CH3:53][S:54]([CH3:55])=[O:56].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:17][CH2:18][CH2:19][CH2:20][N:21]1[CH2:22][C:23]2([c:27]3[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]3)[CH2:24][CH:25]2[CH2:26]1.[ClH:1].[ClH:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:57]>>[CH3:2][c:3]1[cH:4][cH:5][cH:6][c:7](-[c:9]2[c:10](=[O:16])[nH:11][c:12](=[O:15])[n:13]([CH2:18][CH2:19][CH2:20][N:21]3[CH2:22][C:23]4([c:27]5[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]5)[CH2:24][CH:25]4[CH2:26]3)[cH:14]2)[n:8]1.[ClH:17].[ClH:1]

Participants

9

Reactant 7

HCID 313Hydrochloric Acid2×HCID 679Dimethyl SulfoxideHCID 962WaterHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 33781905-(6-Methyl-pyridin-2-yl)-1H-pyrimidine-2,4-dioneHCID 722584093-(3-Chloropropyl)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

Product 2

HCID 313Hydrochloric Acid2×HCID 178424593HCID 178424593, compound

Sources & evidence

ORD record
ord-b7df051a7a664ad3b5823f8e2618869b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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