Water → 1-(2-Chloro-4-(3-((7-methoxy-1,5-naphthyridin-4-ylamino)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)ethanol

HRID 1549449Notes

Reaction equation

HRID 1549449 reaction equation
[C:44](=[O:45])([O-:46])[O-:47].[Cl:1][c:2]1[c:3]([CH:17]([CH3:18])[OH:19])[cH:4][cH:5][c:6]([B:8]2[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]2)[cH:7]1.[Cl:20][c:21]1[cH:22][cH:23][c:24]2[n:25]([n:26]1)[c:27]([CH2:30][NH:31][c:32]1[cH:33][cH:34][n:35][c:36]3[cH:37][c:38]([O:42][CH3:43])[cH:39][n:40][c:41]13)[n:28][n:29]2.[Cs+:48].[Cs+:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:56]>>[Cl:1][c:2]1[c:3]([CH:17]([CH3:18])[OH:19])[cH:4][cH:5][c:6](-[c:21]2[cH:22][cH:23][c:24]3[n:25]([n:26]2)[c:27]([CH2:30][NH:31][c:32]2[cH:33][cH:34][n:35][c:36]4[cH:37][c:38]([O:42][CH3:43])[cH:39][n:40][c:41]24)[n:28][n:29]3)[cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 44180710N-((6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-methoxy-1,5-naphthyridin-4-amineHCID 574162301-(2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanol

Product 1

HCID 576912091-(2-Chloro-4-(3-((7-methoxy-1,5-naphthyridin-4-ylamino)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)ethanol

Sources & evidence

ORD record
ord-6ba9a8fea4944e9788e6e407c6be5cb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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