Sodium ion → HCID 178459563, compound

HRID 2332598Notes

Reaction equation

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

Participants

Reactant 4

HCID 923Sodium ion

HCID 166653Hydride

HCID 738870104-[4-[5-[3-(2,4-Difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]buta-1,3-dienyl]-3-fluorobenzonitrile

HCID 86594587Allyl 4-chloro-4-oxobutyl succinate

Product 1

HCID 178459563HCID 178459563, compound

Sources & evidence

ORD record: ord-f3d91a01b9ef4a1788ed7dcb7134b83d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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