Hydrochloric Acid → HCID 23157650, compound

HRID 204968Notes

Reaction equation

HRID 204968 reaction equation
[CH2:1]([CH3:2])[S:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:50])[c:10](-[c:14]2[c:15]3[c:19]([cH:20][cH:21][cH:22]2)[CH:18]([N:23]([c:24]2[cH:25][c:26]([F:37])[c:27]([CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:28][cH:29]2)[S:38](=[O:39])(=[O:40])[c:41]2[c:42]([N+:47](=[O:48])[O-:49])[cH:43][cH:44][cH:45][cH:46]2)[CH2:17][CH2:16]3)[c:11]([CH3:13])[cH:12]1.[CH3:51][CH2:52][OH:53].[ClH:56].[Na+:55].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH-:54]>>[CH2:1]([CH3:2])[S:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:50])[c:10](-[c:14]2[c:15]3[c:19]([cH:20][cH:21][cH:22]2)[CH:18]([N:23]([c:24]2[cH:25][c:26]([F:37])[c:27]([CH2:30][CH2:31][C:32](=[O:33])[OH:34])[cH:28][cH:29]2)[S:38](=[O:39])(=[O:40])[c:41]2[c:42]([N+:47](=[O:48])[O-:49])[cH:43][cH:44][cH:45][cH:46]2)[CH2:17][CH2:16]3)[c:11]([CH3:13])[cH:12]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 23157179ethyl 3-(4-{(4-{4-[2-(ethylthio)ethoxy]-2,6-dimethylphenyl}-2,3-dihydro-1H-inden-1-yl)[(2-nitrophenyl)sulfonyl]amino}-2-fluorophenyl)propanoate

Product 1

HCID 23157650HCID 23157650, compound

Sources & evidence

ORD record
ord-0bd141e5ae1d40ca9dfa1ff7f06af60a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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