Water → Defosbarasertib

HRID 2316397Notes

Reaction equation

HRID 2316397 reaction equation
[CH2:33]([CH3:34])[NH:35][CH2:36][CH2:37][OH:38].[CH3:39][N:40]([CH3:41])[C:42](=[O:43])[CH3:44].[Cl:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([NH:16][c:17]3[n:18][nH:19][c:20]([CH2:22][C:23](=[O:24])[NH:25][c:26]4[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]4)[cH:21]3)[n:11][cH:12][n:13][c:14]2[cH:15]1.[OH2:45]>>[CH2:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([NH:16][c:17]3[n:18][nH:19][c:20]([CH2:22][C:23](=[O:24])[NH:25][c:26]4[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]4)[cH:21]3)[n:11][cH:12][n:13][c:14]2[cH:15]1)[N:35]([CH2:33][CH3:34])[CH2:36][CH2:37][OH:38]

Participants

5

Reactant 4

HCID 962WaterHCID 80722-(Ethylamino)ethanolHCID 31374DimethylacetamideHCID 162214542-(3-((7-(3-chloropropoxy)quinazolin-4-yl)amino)-1H-pyrazol-5-yl)-N-(3-fluorophenyl)acetamide

Product 1

HCID 16007391Defosbarasertib

Sources & evidence

ORD record
ord-b6083ea4c3b745b7b34749d92951567d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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