Hydrochloric Acid → Hydrochloric Acid

HRID 2157964Notes

Reaction equation

HRID 2157964 reaction equation
[CH3:2][CH2:3][O:4][C:5]([CH3:6])=[O:7].[CH3:51][OH:52].[Cl:53][CH2:54][Cl:55].[ClH:1].[c:8]1(-[c:14]2[c:15](-[c:33]3[cH:34][cH:35][c:36]([C:39]4([NH:43][C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[CH2:40][CH2:41][CH2:42]4)[cH:37][cH:38]3)[n:16][c:17]3[c:18]([n:19]2)[n:20]2[c:21]([cH:22][cH:23]3)[n:24][n:25][c:26]2-[c:27]2[n:28][cH:29][cH:30][n:31][cH:32]2)[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[ClH:1].[c:8]1(-[c:14]2[c:15](-[c:33]3[cH:34][cH:35][c:36]([C:39]4([NH2:43])[CH2:40][CH2:41][CH2:42]4)[cH:37][cH:38]3)[n:16][c:17]3[c:18]([n:19]2)[n:20]2[c:21]([cH:22][cH:23]3)[n:24][n:25][c:26]2-[c:27]2[n:28][cH:29][cH:30][n:31][cH:32]2)[cH:9][cH:10][cH:11][cH:12][cH:13]1

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 57805478Tert-butyl{1-[4-(2-phenyl-9-pyrazin-2-yl[1,2,4]triazolo[4',3':1,6]pyrido[2,3-b]pyrazin-3-yl)phenyl]cyclobutyl}carbamate

Product 2

HCID 313Hydrochloric AcidHCID 578054521-[4-(12-Phenyl-3-pyrazin-2-yl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-yl)phenyl]cyclobutan-1-amine

Sources & evidence

ORD record
ord-308caf8d67be4e00ad8782c8a46e9d5f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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