Sodium ion → HCID 67151520, compound

HRID 2319274Notes

Reaction equation

HRID 2319274 reaction equation
[C:1]([O:2][C:3](=[O:7])[N:8]1[C:4]([CH3:5])([CH3:6])[O:10][CH2:11][CH:12]1[CH2:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([N:21]([CH3:22])[C:23]([c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)=[O:31])[cH:19][cH:20]1)([CH3:9])([CH3:32])[CH3:33].[CH3:44][C:45]#[N:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Na+:43].[OH-:42].[OH2:34].[OH:35][C:36]([C:37]([F:38])([F:39])[F:40])=[O:41]>>[NH2:8][CH:12]([CH2:11][OH:10])[CH2:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([N:21]([CH3:22])[C:23]([c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)=[O:31])[cH:19][cH:20]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 67151551HCID 67151551, compound

Product 1

HCID 67151520HCID 67151520, compound

Sources & evidence

ORD record
ord-b2e76bcdb3b34c41a2b54c5e1e8d6383
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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