Sodium ion → 2-(2-(1-Aminoisoquinolin-4-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol

HRID 151717Notes

Reaction equation

HRID 151717 reaction equation
[CH3:21][C:22]1([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27][B:28]([c:29]2[cH:30][n:31][c:32]([NH2:39])[c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]23)[O:40]1.[CH3:47][C:48]#[N:49].[Cl:1][c:2]1[n:3][c:4]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([C:11]([CH3:12])([CH3:13])[OH:14])[s:10]2.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[OH2:50]>>[c:2]1(-[c:29]2[cH:30][n:31][c:32]([NH2:39])[c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]23)[n:3][c:4]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([C:11]([CH3:12])([CH3:13])[OH:14])[s:10]2

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 461807242-(2-Chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-olHCID 674926724-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1-amine

Product 1

HCID 596061952-(2-(1-Aminoisoquinolin-4-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol

Sources & evidence

ORD record
ord-27dbe23c0ffe4782b566b6e9fcc41aaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…