Sodium ion → HCID 76550433, compound

HRID 1134485Notes

Reaction equation

HRID 1134485 reaction equation
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[Cl:19][c:20]1[c:21](-[n:28]2[n:29][cH:30][c:31]3[c:32]2[n:33][cH:34][n:35][c:36]3[Cl:37])[c:22]([C:23]#[N:24])[cH:25][cH:26][cH:27]1.[H-:1].[N:3]1([CH2:7][CH:8]([C:9](=[O:10])[NH:11][c:12]2[n:13][cH:14][cH:15][cH:16][cH:17]2)[OH:18])[CH2:4][CH2:5][CH2:6]1.[Na+:2]>>[N:3]1([CH2:7][CH:8]([C:9](=[O:10])[NH:11][c:12]2[n:13][cH:14][cH:15][cH:16][cH:17]2)[O:18][c:36]2[c:31]3[cH:30][n:29][n:28](-[c:21]4[c:20]([Cl:19])[cH:27][cH:26][cH:25][c:22]4[C:23]#[N:24])[c:32]3[n:33][cH:34][n:35]2)[CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 575045663-chloro-2-(4-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)benzonitrileHCID 59279449HCID 59279449, compound

Product 1

HCID 76550433HCID 76550433, compound

Sources & evidence

ORD record
ord-aa59a6d84af54155923e809496b83c32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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