p-Toluenesulfonic acid → HCID 70999264, compound

HRID 664675Notes

Reaction equation

HRID 664675 reaction equation
[NH2:12][CH:13]1[CH:14]([c:26]2[cH:27][c:28]([Cl:33])[c:29]([F:32])[cH:30][cH:31]2)[CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1.[OH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][c:40]([Cl:41])[cH:42][cH:43]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[NH:12]([CH:13]1[CH:14]([c:26]2[cH:27][c:28]([Cl:33])[c:29]([F:32])[cH:30][cH:31]2)[CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1)[C:35](=[O:34])[c:37]1[cH:38][cH:39][c:40]([Cl:41])[cH:42][cH:43]1

Participants

4

Reactant 3

HCID 6101p-Toluenesulfonic acidHCID 63184-Chlorobenzoic AcidHCID 178452093HCID 178452093, compound

Product 1

HCID 70999264HCID 70999264, compound

Sources & evidence

ORD record
ord-77794839dd7e4cd0b4c6cf9e3d29f32e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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