Acetate → (4-(2-hydroxypropan-2-yl)piperidin-1-yl)(2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methanone

HRID 1211368Notes

Reaction equation

HRID 1211368 reaction equation
[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH3:42][C:43]([CH3:44])([O-:45])[CH3:46].[CH:30]([CH3:31])([CH3:32])[c:33]1[n:34][c:35]2[c:36]([nH:37]1)[cH:38][cH:39][cH:40][cH:41]2.[Cl:1][c:2]1[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([C:12](=[O:13])[N:14]1[CH2:15][CH2:16][CH:17]([C:20]([CH3:21])([CH3:22])[OH:23])[CH2:18][CH2:19]1)[n:11]2.[Na+:47].[Pd+2:52]>>[c:2]1(-[n:34]2[c:33]([CH:30]([CH3:31])[CH3:32])[n:37][c:36]3[c:35]2[cH:41][cH:40][cH:39][cH:38]3)[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([C:12](=[O:13])[N:14]1[CH2:15][CH2:16][CH:17]([C:20]([CH3:21])([CH3:22])[OH:23])[CH2:18][CH2:19]1)[n:11]2

Participants

7

Reactant 6

HCID 175Acetate2×HCID 923Sodium ionHCID 221212-(propan-2-yl)-1H-1,3-benzodiazoleHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 58404959(2-Chloro-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)(4-(2-hydroxypropan-2-yl)piperidin-1-yl)methanone

Product 1

HCID 53378372(4-(2-hydroxypropan-2-yl)piperidin-1-yl)(2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methanone

Sources & evidence

ORD record
ord-d01a45a449f44d88bb978acca1ec143a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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