Acetic Acid → HCID 15230472, compound

HRID 134815Notes

Reaction equation

HRID 134815 reaction equation
[CH3:21][C:22](=[O:23])[OH:24].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][c:10]3[c:11]([cH:17][cH:18]2)[C:12](=[O:13])[O:14][C:15]3=[O:16])[cH:19][cH:20]1.[NH2:25][CH2:26][c:27]1[cH:28][n:29][cH:30][cH:31][cH:32]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][c:10]3[c:11]([cH:17][cH:18]2)[C:12](=[O:14])[N:25]([CH2:26][c:27]2[cH:28][n:29][cH:30][cH:31][cH:32]2)[C:15]3=[O:16])[cH:19][cH:20]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 1140TolueneHCID 310183-PyridinemethanamineHCID 54315654HCID 54315654, compound

Product 1

HCID 15230472HCID 15230472, compound

Sources & evidence

ORD record
ord-a47d0c1775d44810b504e8e40deefa9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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