Acetate → HCID 178469429, compound

HRID 2125541Notes

Reaction equation

HRID 2125541 reaction equation
[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[SH:38].[CH3:1][c:2]1[n:3][c:4]([CH3:30])[cH:5][c:6](-[c:8]2[c:9]([F:29])[c:10]([F:28])[c:11]3[c:12]4[n:13]([cH:19][c:20]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[c:21]3=[O:22])[CH:14]([CH3:18])[CH2:15][O:16][c:17]24)[cH:7]1.[CH3:47][C:48](=[O:49])[O-:50].[H-:39].[Na+:40].[Na+:46].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[CH3:1][c:2]1[n:3][c:4]([CH3:30])[cH:5][c:6](-[c:8]2[c:9]([F:29])[c:10]([S:38][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:11]3[c:12]4[n:13]([cH:19][c:20]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[c:21]3=[O:22])[CH:14]([CH3:18])[CH2:15][O:16][c:17]24)[cH:7]1

Participants

7

Reactant 6

HCID 175AcetateHCID 923Sodium ion2×HCID 7509Benzyl mercaptanHCID 8028TetrahydrofuranHCID 166653HydrideHCID 178469428HCID 178469428, compound

Product 1

HCID 178469429HCID 178469429, compound

Sources & evidence

ORD record
ord-59232cea3d5d4e2fb211d86e78573df0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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