Sodium ion → 4-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)azetidin-3-yl)piperazin-2-one

HRID 155679Notes

Reaction equation

HRID 155679 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH2:30]([CH3:31])[c:32]1[nH:33][c:34]2[c:35]([n:36]1)[cH:37][cH:38][cH:39][cH:40]2.[CH3:41][C:42]([CH3:43])([O-:44])[CH3:45].[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]([CH2:12][N:13]1[CH2:14][CH:15]([N:17]3[CH2:18][C:19](=[O:23])[NH:20][CH2:21][CH2:22]3)[CH2:16]1)[n:11]2.[Cs+:51].[Cs+:52].[Na+:46]>>[c:2]1(-[n:33]2[c:32]([CH2:30][CH3:31])[n:36][c:35]3[c:34]2[cH:40][cH:39][cH:38][cH:37]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]([CH2:12][N:13]1[CH2:14][CH:15]([N:17]3[CH2:18][C:19](=[O:23])[NH:20][CH2:21][CH2:22]3)[CH2:16]1)[n:11]2

Participants

7

Reactant 6

HCID 923Sodium ionHCID 158072-EthylbenzimidazoleHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 45749132-Methylpropan-2-olateHCID 584050214-(1-((2-Chloro-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)azetidin-3-yl)piperazin-2-one

Product 1

HCID 533785704-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)azetidin-3-yl)piperazin-2-one

Sources & evidence

ORD record
ord-78e6377a72bd4cac92a19efe78fb183e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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