Acetone → HCID 178457027, compound

HRID 92499Notes

Reaction equation

HRID 92499 reaction equation
[CH3:49][C:50]([CH3:51])=[O:52].[ClH:1].[ClH:2].[ClH:3].[N+:4](=[O:5])([O-:6])[c:7]1[cH:8][cH:9][c:10]([C:11](=[O:12])[O:13][CH:14]2[CH2:15][CH:16]([CH3:46])[c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[N:23]2[CH2:24][C:25]3([c:26]4[c:27]([CH2:32][NH2:33])[cH:28][cH:29][cH:30][c:31]42)[CH2:34][CH2:35][N:36]([CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH2:37][CH2:38]3)[cH:47][cH:48]1>>[N+:4](=[O:5])([O-:6])[c:7]1[cH:8][cH:9][c:10]([C:11](=[O:12])[O:13][CH:14]2[CH2:15][CH:16]([CH3:46])[c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[N:23]2[CH2:24][C:25]3([c:26]4[c:27]([CH2:32][NH:33][CH:50]([CH3:49])[CH3:51])[cH:28][cH:29][cH:30][c:31]42)[CH2:34][CH2:35][N:36]([CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH2:37][CH2:38]3)[cH:47][cH:48]1

Participants

4

Reactant 3

HCID 180AcetoneHCID 313Hydrochloric Acid3×HCID 178429139HCID 178429139, compound

Product 1

HCID 178457027HCID 178457027, compound

Sources & evidence

ORD record
ord-6d63bb98683c481f845755640d8e916d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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