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)morpholine

HRID 1558483Notes

Reaction equation

HRID 1558483 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH2:29]([CH3:30])[c:31]1[nH:32][c:33]2[c:34]([n:35]1)[cH:36][cH:37][cH:38][cH:39]2.[CH3:40][C:41]([CH3:42])([O-:43])[CH3:44].[Cl:1][c:2]1[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]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][CH2:19][O:20][CH2:21][CH2:22]3)[CH2:16]1)[n:11]2.[Cs+:50].[Cs+:51].[Na+:45]>>[c:2]1(-[n:32]2[c:31]([CH2:29][CH3:30])[n:35][c:34]3[c:33]2[cH:39][cH:38][cH:37][cH:36]3)[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]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][CH2:19][O: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 584050304-(1-((2-Chloro-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)azetidin-3-yl)morpholine

Product 1

HCID 533785674-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)azetidin-3-yl)morpholine

Sources & evidence

ORD record
ord-3238093faa5d4473bac1164e97fd57c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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