Acetone → HCID 25054565, compound

HRID 1535538Notes

Reaction equation

HRID 1535538 reaction equation
[CH3:35][C:36]([CH3:37])=[O:38].[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][c:11]([C:33]#[N:34])[n:12][c:13]3[cH:14][c:15]([CH2:19][n:20]4[n:21][n:22][c:23]([C:25]([CH2:26][CH3:27])([C:28]([F:29])([F:30])[F:31])[OH:32])[cH:24]4)[cH:16][cH:17][c:18]23)[cH:5][c:6]([Cl:8])[cH:7]1.[OH2:39]>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][c:11]([C:33]([NH2:34])=[O:38])[n:12][c:13]3[cH:14][c:15]([CH2:19][n:20]4[n:21][n:22][c:23]([C:25]([CH2:26][CH3:27])([C:28]([F:29])([F:30])[F:31])[OH:32])[cH:24]4)[cH:16][cH:17][c:18]23)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

4

Reactant 3

HCID 180AcetoneHCID 962WaterHCID 25054028HCID 25054028, compound

Product 1

HCID 25054565HCID 25054565, compound

Sources & evidence

ORD record
ord-40d6acff96fd4127bcd9f3874f575f05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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