Sodium ion → HCID 86640126, compound

HRID 1535448Notes

Reaction equation

HRID 1535448 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[NH:27][CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1.[H-:42].[Na+:41].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[c:43]1([CH3:52])[c:44]([N:49]=[C:50]=[S:51])[cH:45][cH:46][cH:47][cH:48]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[N:27]([C:50]([NH:49][c:44]3[c:43]([CH3:52])[cH:48][cH:47][cH:46][cH:45]3)=[S:51])[CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 691952-Methylphenyl isothiocyanateHCID 166653HydrideHCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amine

Product 1

HCID 86640126HCID 86640126, compound

Sources & evidence

ORD record
ord-ea23c3e30a394dcd8904d0e588faf39e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…