Hydroxide → HCID 23157602, compound

HRID 315906Notes

Reaction equation

HRID 315906 reaction equation
[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[CH2:6][CH2:7][O:8][c:9]1[cH:10][c:11]([CH3:52])[c:12](-[c:16]2[cH:17][c:18]([CH2:22][N:23]([c:24]3[cH:25][c:26]([F:39])[c:27]([CH2:30][CH2:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:28][cH:29]3)[S:40]([c:41]3[cH:42][cH:43][cH:44][cH:45][c:46]3[N+:47]([O-:48])=[O:49])(=[O:50])=[O:51])[cH:19][cH:20][cH:21]2)[c:13]([CH3:15])[cH:14]1.[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Li+:60].[OH-:59].[OH2:58].[SH:53][CH2:54][C:55]([OH:56])=[O:57]>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[CH2:6][CH2:7][O:8][c:9]1[cH:10][c:11]([CH3:52])[c:12](-[c:16]2[cH:17][c:18]([CH2:22][NH:23][c:24]3[cH:25][c:26]([F:39])[c:27]([CH2:30][CH2:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:28][cH:29]3)[cH:19][cH:20][cH:21]2)[c:13]([CH3:15])[cH:14]1

Participants

8

Reactant 7

HCID 961HydroxideHCID 962WaterHCID 1133Thioglycolic AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 23157658HCID 23157658, compound

Product 1

HCID 23157602HCID 23157602, compound

Sources & evidence

ORD record
ord-5ae540bf8c1d4e79bcfcf2687724946d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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