Hydrochloric Acid → Barasertib

HRID 673267Notes

Reaction equation

HRID 673267 reaction equation
[ClH:52].[Na+:54].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:53].[OH2:51].[OH2:55].[P:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])([O:8][CH2:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH2:15][CH2:16][O:17][c:18]1[cH:19][cH:20][c:21]2[c:22]([NH:28][c:29]3[n:30][nH:31][c:32]([CH2:34][C:35](=[O:36])[NH:37][c:38]4[cH:39][c:40]([F:44])[cH:41][cH:42][cH:43]4)[cH:33]3)[n:23][cH:24][n:25][c:26]2[cH:27]1)[O-:45]>>[P:1](=[O:2])([OH:3])([O:8][CH2:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH2:15][CH2:16][O:17][c:18]1[cH:19][cH:20][c:21]2[c:22]([NH:28][c:29]3[n:30][nH:31][c:32]([CH2:34][C:35](=[O:36])[NH:37][c:38]4[cH:39][c:40]([F:44])[cH:41][cH:42][cH:43]4)[cH:33]3)[n:23][cH:24][n:25][c:26]2[cH:27]1)[OH:45]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 178464181HCID 178464181, compound

Product 1

HCID 11497983Barasertib

Sources & evidence

ORD record
ord-4d844b08d3b4486b903ce8345edaa749
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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