Bicarbonate Ion → HCID 6539963, compound

HRID 1206200Notes

Reaction equation

HRID 1206200 reaction equation
[C:46](=[O:47])([OH:48])[O-:49].[CH3:33][C:34]([C:35](=[O:36])[Cl:37])([CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[CH3:45].[NH2:1][c:2]1[c:3]([O:31][CH3:32])[cH:4][c:5](-[c:8]2[n:9][n:10]([CH:18]3[CH2:19][CH2:20][CH:21]([N:24]4[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]4)[CH2:22][CH2:23]3)[c:11]3[n:12][cH:13][n:14][c:15]([NH2:17])[c:16]23)[cH:6][cH:7]1.[Na+:50].[cH:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1>>[NH:1]([c:2]1[c:3]([O:31][CH3:32])[cH:4][c:5](-[c:8]2[n:9][n:10]([CH:18]3[CH2:19][CH2:20][CH:21]([N:24]4[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]4)[CH2:22][CH2:23]3)[c:11]3[n:12][cH:13][n:14][c:15]([NH2:17])[c:16]23)[cH:6][cH:7]1)[C:35]([C:34]([CH3:33])([CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[CH3:45])=[O:36]

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1049PyridineHCID 133072292,2-Dimethyl-3-phenylpropanoyl chlorideHCID 208170343-(4-amino-3-methoxyphenyl)-1-[4-(4-methylpiperazino)-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Product 1

HCID 6539963HCID 6539963, compound

Sources & evidence

ORD record
ord-1b8de7578e784dab970955e974be03e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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