Hydrochloric Acid → Hydrochloric Acid

HRID 1122328Notes

Reaction equation

HRID 1122328 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[cH:9][cH:10][c:11]([CH2:14][C:15]([NH:16][c:17]2[c:18](=[O:37])[n:19]([CH2:29][c:30]3[c:31]([F:36])[cH:32][cH:33][cH:34][cH:35]3)[c:20](=[O:28])[n:21]([CH2:24][CH:25]3[CH2:26][CH2:27]3)[c:22]2[NH2:23])=[O:38])[cH:12][cH:13]1)([CH3:5])([CH3:6])[CH3:39].[ClH:40].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[ClH:40].[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH2:14][C:15]([NH:16][c:17]2[c:18](=[O:37])[n:19]([CH2:29][c:30]3[c:31]([F:36])[cH:32][cH:33][cH:34][cH:35]3)[c:20](=[O:28])[n:21]([CH2:24][CH:25]3[CH2:26][CH2:27]3)[c:22]2[NH2:23])=[O:38])[cH:12][cH:13]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 58762834(4-{[6-Amino-1-cyclopropylmethyl-3-(2-fluoro-benzyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylcarbamoyl]-methyl}-phenyl)-carbamic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 58762830N-[6-amino-1-cyclopropylmethyl-3-(2-fluoro-benzyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-2-(4-amino-phenyl)-acetamide

Sources & evidence

ORD record
ord-0cda1c50866a436eac09b0d4af54c5ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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