Sodium ion → 4-tert-butyl-N-[5-(2-methoxyphenoxy)-2-pyridin-4-yl-6-(4-pyrimidin-2-yloxybut-2-ynoxy)pyrimidin-4-yl]benzenesulfonamide

HRID 167750Notes

Reaction equation

HRID 167750 reaction equation
[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]2[n:18][c:19](-[c:38]3[cH:39][cH:40][n:41][cH:42][cH:43]3)[n:20][c:21]([O:32][CH2:33][C:34]#[C:35][CH2:36][OH:37])[c:22]2[O:23][c:24]2[c:25]([O:30][CH3:31])[cH:26][cH:27][cH:28][cH:29]2)[cH:11][cH:12]1.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[Cl:44][c:45]1[n:46][cH:47][cH:48][cH:49][n:50]1.[H-:1].[Na+:2]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]2[n:18][c:19](-[c:38]3[cH:39][cH:40][n:41][cH:42][cH:43]3)[n:20][c:21]([O:32][CH2:33][C:34]#[C:35][CH2:36][O:37][c:45]3[n:46][cH:47][cH:48][cH:49][n:50]3)[c:22]2[O:23][c:24]2[c:25]([O:30][CH3:31])[cH:26][cH:27][cH:28][cH:29]2)[cH:11][cH:12]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 744042-ChloropyrimidineHCID 166653HydrideHCID 102815734-tert-Butyl-N-[6-(4-hydroxy-but-2-ynyloxy)-5-(2-methoxy-phenoxy)-2-pyridin-4-yl-pyrimidin-4-yl]-benzenesulfonamide

Product 1

HCID 103050204-tert-butyl-N-[5-(2-methoxyphenoxy)-2-pyridin-4-yl-6-(4-pyrimidin-2-yloxybut-2-ynoxy)pyrimidin-4-yl]benzenesulfonamide

Sources & evidence

ORD record
ord-252cf832f6a0407ba2948a1dce12bb49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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