2-Isopropoxy-5-methylsulfonylbenzoic acid → HCID 58677884, compound

HRID 2162803Notes

Reaction equation

HRID 2162803 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]3[c:19]([cH:20]2)[CH2:18][NH:17][CH2:16][CH2:15]3)[CH2:6][CH2:7]1.[CH:21]([CH3:22])([CH3:23])[O:24][c:25]1[c:26]([C:27](=[O:28])[OH:29])[cH:30][c:31]([S:34](=[O:35])(=[O:36])[CH3:37])[cH:32][cH:33]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]3[c:19]([cH:20]2)[CH2:18][N:17]([C:27]([c:26]2[c:25]([O:24][CH:21]([CH3:22])[CH3:23])[cH:33][cH:32][c:31]([S:34](=[O:35])(=[O:36])[CH3:37])[cH:30]2)=[O:28])[CH2:16][CH2:15]3)[CH2:6][CH2:7]1

Participants

3

Sources & evidence

ORD record
ord-57ff7c24fdda41e5a93e81e9a0c49c4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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