Sodium ion → HCID 15158833, compound

HRID 123917Notes

Reaction equation

HRID 123917 reaction equation
[C:30]([CH3:31])(=[O:32])[Cl:33].[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH2:3]([CH3:4])[N:5]([CH2:6][CH:7]([CH2:8][O:9][c:10]1[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]1)[OH:18])[CH2:19][CH2:20][CH2:21][S:22][c:23]1[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]1.[Na+:2].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[OH-:1].[S:34]([O-:35])([OH:36])(=[O:37])=[O:38]>>[CH2:3]([CH3:4])[N:5]([CH2:6][CH:7]([CH2:8][O:9][c:10]1[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]1)[OH:18])[CH2:19][CH2:20][CH2:21][S:22][c:23]1[cH:24][cH:25][c:26]([O:29][C:30]([CH3:31])=[O:32])[cH:27][cH:28]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 6367Acetyl chlorideHCID 16028TetrabutylammoniumHCID 312751,4-DioxaneHCID 61778Sulfate, hydrogenHCID 15158820HCID 15158820, compound

Product 1

HCID 15158833HCID 15158833, compound

Sources & evidence

ORD record
ord-da7cdda678604be8b2c82b4ea3ab1627
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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