Acetone → HCID 58691336, compound

HRID 1553548Notes

Reaction equation

HRID 1553548 reaction equation
[CH3:51][C:52](=[O:53])[CH3:54].[Cl:33][CH2:34][CH2:35][CH:36]1[N:37]([CH3:41])[CH2:38][CH2:39][CH2:40]1.[ClH:32].[I-:49].[Na+:42].[Na+:43].[Na+:48].[O-:44][C:45](=[O:46])[O-:47].[OH2:50].[OH:1][c:2]1[c:3](-[c:12]2[cH:13][c:14]([O:18][c:19]3[cH:20][cH:21][cH:22][c:23]4[c:24]3[n:25][c:26]([NH:28][C:29]([CH3:30])=[O:31])[s:27]4)[n:15][cH:16][n:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1>>[O:1]([c:2]1[c:3](-[c:12]2[cH:13][c:14]([O:18][c:19]3[cH:20][cH:21][cH:22][c:23]4[c:24]3[n:25][c:26]([NH:28][C:29]([CH3:30])=[O:31])[s:27]4)[n:15][cH:16][n:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1)[CH2:34][CH2:35][CH:36]1[N:37]([CH3:41])[CH2:38][CH2:39][CH2:40]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 923Sodium ion3×HCID 962WaterHCID 19660Carbonate IonHCID 30165Iodide IonHCID 2850932-(2-Chloroethyl)-1-methylpyrrolidineHCID 135729082HCID 135729082, compound

Product 1

HCID 58691336HCID 58691336, compound

Sources & evidence

ORD record
ord-f3017ad4a0a744e3960788ca465ad2cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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