Sodium ion → HCID 77995331, compound

HRID 1136378Notes

Reaction equation

HRID 1136378 reaction equation
[CH3:42][C:43]#[N:44].[Cl:8][c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([NH:17][c:18]2[c:19]([CH3:37])[cH:20][c:21]([CH:24]3[O:25][CH2:26][CH2:27][N:28]([C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:29]3)[cH:22][cH:23]2)=[O:38])[cH:13][n:14]1.[Na+:40].[OH-:39].[OH2:41].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[Cl:8][c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([NH:17][c:18]2[c:19]([CH3:37])[cH:20][c:21]([CH:24]3[O:25][CH2:26][CH2:27][NH:28][CH2:29]3)[cH:22][cH:23]2)=[O:38])[cH:13][n:14]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 89262315HCID 89262315, compound

Product 1

HCID 77995331HCID 77995331, compound

Sources & evidence

ORD record
ord-23f6bd75dfcd46348aad944f73072c86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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