Ammonium → Methyl 3-[3-methyl-4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate

HRID 1539895Notes

Reaction equation

HRID 1539895 reaction equation
[Br:1][CH2:2][CH2:3][Br:4].[CH2:5]=[CH2:6].[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[CH3:40][O:41][C:42]([CH:43]([NH:44][C:45](=[O:46])[O:47][CH2:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH2:55][c:56]1[cH:57][c:58]([CH3:63])[c:59]([I:62])[cH:60][cH:61]1)=[O:64].[CH3:7][Si:8]([CH3:9])([CH3:10])[Cl:11].[Cl-:65].[I:12][c:13]1[c:14](=[O:23])[n:15]([CH3:22])[c:16](=[O:21])[n:17]([CH3:20])[c:18]1[CH3:19].[NH4+:66].[Zn:72].[o:24]1[cH:25][cH:26][cH:27][c:28]1[P:29]([c:30]1[o:31][cH:32][cH:33][cH:34]1)[c:35]1[o:36][cH:37][cH:38][cH:39]1>>[c:13]1(-[c:59]2[c:58]([CH3:63])[cH:57][c:56]([CH2:55][CH:43]([C:42]([O:41][CH3:40])=[O:64])[NH:44][C:45](=[O:46])[O:47][CH2:48][c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[cH:61][cH:60]2)[c:14](=[O:23])[n:15]([CH3:22])[c:16](=[O:21])[n:17]([CH3:20])[c:18]1[CH3:19]

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 6325EthyleneHCID 6397ChlorotrimethylsilaneHCID 78391,2-DibromoethaneHCID 8028TetrahydrofuranHCID 23994ZincHCID 521585Tris(furan-2-yl)phosphaneHCID 109239395-Iodo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dioneHCID 22613738Methyl 3-(4-iodo-3-methylphenyl)-2-(phenylmethoxycarbonylamino)propanoate

Product 1

HCID 22613761Methyl 3-[3-methyl-4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Sources & evidence

ORD record
ord-ef3ed3d0ba964ce9984828cd40a95cf7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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