Methanol → tert-butyl 4-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]piperidine-1-carboxylate

HRID 2347176Notes

Reaction equation

HRID 2347176 reaction equation
[C:1](=[O:2])([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][n:15]1[cH:16][cH:17][c:18]2[n:19][cH:20][n:21][c:22]([NH:24][c:25]3[cH:26][c:27]([Cl:45])[c:28]([O:29][CH:30]4[CH2:31][CH2:32][N:33]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:34][CH2:35]4)[cH:43][cH:44]3)[c:23]12.[CH3:47][OH:48].[Na+:55].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH-:54].[OH2:46]>>[OH:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][n:15]1[cH:16][cH:17][c:18]2[n:19][cH:20][n:21][c:22]([NH:24][c:25]3[cH:26][c:27]([Cl:45])[c:28]([O:29][CH:30]4[CH2:31][CH2:32][N:33]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:34][CH2:35]4)[cH:43][cH:44]3)[c:23]12

Participants

7

Reactant 6

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 67520588tert-butyl 4-{4-[(5-{2-[2-(benzoyloxy)ethoxy]ethyl}-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-2-chlorophenoxy}piperidine-1-carboxylate

Product 1

HCID 57597228tert-butyl 4-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-4ce02b03bba5455a8bf04a0182fb9518
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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