Acetate → HCID 67385389, compound

HRID 1153251Notes

Reaction equation

HRID 1153251 reaction equation
[Br:6][c:7]1[cH:8][c:9]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[cH:10][cH:11][c:12]1[F:13].[C:70]([O-:71])(=[O:72])[CH3:73].[C:75]([O-:76])(=[O:77])[CH3:78].[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH2:28][N:29]([c:30]2[n:31][cH:32][c:33](-[c:36]3[c:37]4[c:38]([n:39][c:40]([N:42]5[CH2:43][CH2:44][O:45][CH2:46][CH2:47]5)[n:41]3)[NH:48][CH2:49][CH2:50]4)[cH:34][n:35]2)[CH2:51][c:52]2[cH:53][cH:54][c:55]([O:58][CH3:59])[cH:56][cH:57]2)[cH:60][cH:61]1.[Cl:79][CH2:80][Cl:81].[K+:67].[K+:68].[K+:69].[P:62]([O-:63])([O-:64])([O-:65])=[O:66].[Pd+2:74]>>[c:7]1([N:48]2[c:38]3[c:37]([c:36](-[c:33]4[cH:32][n:31][c:30]([N:29]([CH2:28][c:27]5[cH:26][cH:25][c:24]([O:23][CH3:22])[cH:61][cH:60]5)[CH2:51][c:52]5[cH:53][cH:54][c:55]([O:58][CH3:59])[cH:56][cH:57]5)[n:35][cH:34]4)[n:41][c:40]([N:42]4[CH2:43][CH2:44][O:45][CH2:46][CH2:47]4)[n:39]3)[CH2:50][CH2:49]2)[cH:8][c:9]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[cH:10][cH:11][c:12]1[F:13]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amineHCID 46738891(3-Bromo-4-fluorophenyl)(morpholin-4-yl)methanone

Product 1

HCID 67385389HCID 67385389, compound

Sources & evidence

ORD record
ord-882ee463c7964a33b913188623e2f5ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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