Sodium ion → Crenolanib

HRID 207285Notes

Reaction equation

HRID 207285 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][cH:17][c:18]3[cH:19][cH:20][c:21](-[n:24]4[cH:25][n:26][c:27]5[c:28]4[cH:29][cH:30][c:31]([O:33][CH2:34][C:35]4([CH3:39])[CH2:36][O:37][CH2:38]4)[cH:32]5)[n:22][c:23]23)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:40].[CH3:41][C:42]([CH3:43])([O-:44])[CH3:45].[CH3:48][CH:49]1[CH2:50][CH2:51][CH2:52][O:53]1.[Na+:46].[OH2:47]>>[NH2:7][CH:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][cH:17][c:18]3[cH:19][cH:20][c:21](-[n:24]4[cH:25][n:26][c:27]5[c:28]4[cH:29][cH:30][c:31]([O:33][CH2:34][C:35]4([CH3:39])[CH2:36][O:37][CH2:38]4)[cH:32]5)[n:22][c:23]23)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 962WaterHCID 73012-MethyltetrahydrofuranHCID 45749132-Methylpropan-2-olateHCID 11692406HCID 11692406, compound

Product 1

HCID 10366136Crenolanib

Sources & evidence

ORD record
ord-88575d0b962e499e9a1376d22a37b3f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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