Acetate → HCID 178519039, compound

HRID 298071Notes

Reaction equation

HRID 298071 reaction equation
[CH3:34][C:35]([O-:36])=[O:37].[CH3:38][S:39](=[O:40])[CH3:41].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]3([C:17](=[O:18])[N:19]4[CH2:20][C:21]5([O:22][C:23](=[O:30])[c:24]6[c:25]5[cH:26][cH:27][cH:28][cH:29]6)[CH2:31][CH2:32]4)[CH2:15][CH2:16]3)[cH:12][cH:13]2)[cH:6][n:7]1.[NH2:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[NH4+:33].[OH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[c:2]1([OH:36])[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]3([C:17](=[O:18])[N:19]4[CH2:20][C:21]5([O:22][C:23](=[O:30])[c:24]6[c:25]5[cH:26][cH:27][cH:28][cH:29]6)[CH2:31][CH2:32]4)[CH2:15][CH2:16]3)[cH:12][cH:13]2)[cH:6][n:7]1

Participants

7

Reactant 6

HCID 175AcetateHCID 223AmmoniumHCID 679Dimethyl SulfoxideHCID 996PhenolHCID 6115AnilineHCID 66661658HCID 66661658, compound

Product 1

HCID 178519039HCID 178519039, compound

Sources & evidence

ORD record
ord-901004394cca463b955927197e7dc43a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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