Acetate → HCID 178500119, compound

HRID 1227987Notes

Reaction equation

HRID 1227987 reaction equation
[Br-:59].[Br:1][c:2]1[s:3][c:4](-[c:7]2[cH:8][c:9]([NH:14][c:15]3[n:16][cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[n:20]3)[cH:10][c:11]([CH3:13])[cH:12]2)[cH:5][n:6]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:60][O:61][C:62]([CH:63]([CH2:64][Zn+:65])[CH3:66])=[O:67].[CH:25]1([P:26]([CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2-[c:39]2[c:40]([O:41][CH3:42])[cH:43][cH:44][cH:45][c:46]2[O:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[Cl-:68].[NH4+:69].[O-:72][C:73]([CH3:74])=[O:75].[O-:76][C:77]([CH3:78])=[O:79].[OH2:70].[Pd+2:71]>>[c:2]1([CH2:64][CH:63]([C:62]([O:61][CH3:60])=[O:67])[CH3:66])[s:3][c:4](-[c:7]2[cH:8][c:9]([NH:14][c:15]3[n:16][cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[n:20]3)[cH:10][c:11]([CH3:13])[cH:12]2)[cH:5][n:6]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 962WaterHCID 8028TetrahydrofuranHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 58456233N-[3-(2-bromo-1,3-thiazol-5-yl)-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amineHCID 178500471HCID 178500471, compound

Product 1

HCID 178500119HCID 178500119, compound

Sources & evidence

ORD record
ord-7910cb8fa0d74ffea06f74cd1cf319bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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