Hydrochloric Acid → Hydrochloric Acid

HRID 1209458Notes

Reaction equation

HRID 1209458 reaction equation
[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH3:51][OH:52].[Cl:53][CH2:54][Cl:55].[ClH:44].[c:1]1(-[c:7]2[c:8](-[c:26]3[cH:27][cH:28][c:29]([C:32]4([NH:36][C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:33][CH2:34][CH2:35]4)[cH:30][cH:31]3)[n:9][c:10]3[cH:11][cH:12][n:13]4[c:14]([c:15]3[cH:16]2)[n:17][n:18][c:19]4-[c:20]2[n:21][cH:22][cH:23][cH:24][n:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:44].[c:1]1(-[c:7]2[c:8](-[c:26]3[cH:27][cH:28][c:29]([C:32]4([NH2:36])[CH2:33][CH2:34][CH2:35]4)[cH:30][cH:31]3)[n:9][c:10]3[cH:11][cH:12][n:13]4[c:14]([c:15]3[cH:16]2)[n:17][n:18][c:19]4-[c:20]2[n:21][cH:22][cH:23][cH:24][n:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 57805499HCID 57805499, compound

Product 2

HCID 313Hydrochloric AcidHCID 249642681-[4-(9-Phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine

Sources & evidence

ORD record
ord-25811680c5ca45a4a5b64c8b8be3af0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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