Sodium ion → HCID 69779770, compound

HRID 1147373Notes

Reaction equation

HRID 1147373 reaction equation
[CH2:25]([CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[NH:33][C:34](=[O:35])[c:36]1[c:37]([O:45][CH3:46])[cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1.[CH3:53][O:54][CH2:55][CH2:56][O:57][CH3:58].[I:1][c:2]1[n:3][n:4]([CH:12]2[CH2:13][CH2:14][CH:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[OH2:59]>>[c:2]1(-[c:39]2[cH:38][c:37]([O:45][CH3:46])[c:36]([C:34]([NH:33][CH2:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)=[O:35])[cH:41][cH:40]2)[n:3][n:4]([CH:12]2[CH2:13][CH2:14][CH:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 208170473-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amineHCID 22346986HCID 22346986, compound

Product 1

HCID 69779770HCID 69779770, compound

Sources & evidence

ORD record
ord-afc58f83f5254c13bcab262d311a4e85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…