Hydrochloric Acid → Hydrochloric Acid

HRID 682115Notes

Reaction equation

HRID 682115 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([NH:20][C:21](=[O:22])[c:23]3[n:24][c:25](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[o:26][c:27]3[C:28]([F:29])([F:30])[F:31])[cH:18][n:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH2:39]([Cl:40])[Cl:41].[CH3:42][OH:43].[ClH:38]>>[ClH:38].[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([NH:20][C:21](=[O:22])[c:23]3[n:24][c:25](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[o:26][c:27]3[C:28]([F:29])([F:30])[F:31])[cH:18][n:19]2)[CH2:12][CH2:13]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 667384454-{5-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-pyrimidin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 529370592-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (2-piperazin-1-yl-pyrimidin-5-yl)-amide

Sources & evidence

ORD record
ord-a86724af193a4656b9e100bd461c0b69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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