Sodium ion → HCID 69779201, compound

HRID 143236Notes

Reaction equation

HRID 143236 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[cH:37][cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1.[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[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+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[OH2:57]>>[c:2]1(-[c:39]2[cH:38][cH:37][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 22346976{4-[(2-Phenylethyl)carbamoyl]phenyl}boronic acid

Product 1

HCID 69779201HCID 69779201, compound

Sources & evidence

ORD record
ord-0651f802058949baae9310394b562da6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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