Acetate → HCID 45258863, compound

HRID 1152852Notes

Reaction equation

HRID 1152852 reaction equation
[C:81]([O-:82])(=[O:83])[CH3:84].[C:86]([O-:87])(=[O:88])[CH3:89].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[NH:27][CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1.[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[Cl:41][c:42]1[n:43][cH:44][cH:45][c:46]([I:48])[cH:47]1.[K+:73].[K+:74].[K+:75].[OH2:90].[P:68]([O-:69])([O-:70])([O-:71])=[O:72].[Pd+2:85].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[N:27]([c:46]3[cH:45][cH:44][n:43][c:42]([Cl:41])[cH:47]3)[CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 15165112-Chloro-4-iodopyridineHCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amine

Product 1

HCID 45258863HCID 45258863, compound

Sources & evidence

ORD record
ord-6f38b63b5be34e2692a690507a813e79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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