Acetic Acid → HCID 23468860, compound

HRID 182315Notes

Reaction equation

HRID 182315 reaction equation
[CH3:1][c:2]1[o:3][c:4]2[c:5]([c:6]1[CH3:7])[cH:8][cH:9][c:10]([CH:12]1[CH2:13][C:14](=[O:15])[O:16][C:17](=[O:19])[CH2:18]1)[cH:11]2.[CH3:24][C:25](=[O:26])[OH:27].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH:20]1([NH2:23])[CH2:21][CH2:22]1.[OH2:28]>>[CH3:1][c:2]1[o:3][c:4]2[c:5]([c:6]1[CH3:7])[cH:8][cH:9][c:10]([CH:12]1[CH2:13][C:14](=[O:16])[N:23]([CH:20]3[CH2:21][CH2:22]3)[C:17](=[O:19])[CH2:18]1)[cH:11]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 1140TolueneHCID 69828CyclopropylamineHCID 53815846HCID 53815846, compound

Product 1

HCID 23468860HCID 23468860, compound

Sources & evidence

ORD record
ord-f765d7c11e394e0eb2285eb43efb427f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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