Benzoic Acid → HCID 86620398, compound

HRID 211980Notes

Reaction equation

HRID 211980 reaction equation
[CH:10]([N:11]([CH:12]([CH3:13])[CH3:14])[CH2:15][CH3:16])([CH3:17])[CH3:18].[NH2:19][c:20]1[s:21][c:22](-[c:26]2[cH:27][c:28]([NH:33][S:34](=[O:35])(=[O:36])[CH3:37])[c:29]([Cl:32])[n:30][cH:31]2)[c:23]([CH3:25])[n:24]1.[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:19][c:20]1[s:21][c:22](-[c:26]2[cH:27][c:28]([NH:33][S:34](=[O:35])(=[O:36])[CH3:37])[c:29]([Cl:32])[n:30][cH:31]2)[c:23]([CH3:25])[n:24]1

Participants

4

Reactant 3

HCID 243Benzoic AcidHCID 81531DiisopropylethylamineHCID 86620384HCID 86620384, compound

Product 1

HCID 86620398HCID 86620398, compound

Sources & evidence

ORD record
ord-d84da741e8ce4f42bdea5825815aff85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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