Acetone → HCID 22460801, compound

HRID 189088Notes

Reaction equation

HRID 189088 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:44][C:45](=[O:46])[CH3:47].[Cl:1][c:2]1[c:3]([NH:8][CH2:9][c:10]2[n:11][cH:12][cH:13][c:14]([S:17][CH2:18][CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]3)[c:15]2[CH3:16])[n:4][cH:5][n:6][cH:7]1.[ClH:27].[I-:43].[Na+:40].[Na+:41].[Na+:42].[cH:28]1[cH:29][c:30]([CH2:34][Cl:35])[cH:31][cH:32][n:33]1>>[Cl:1][c:2]1[c:3]([NH:8][CH2:9][c:10]2[n:11][cH:12][cH:13][c:14]([S:17][CH2:18][CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][N:24]([CH2:34][c:30]4[cH:29][cH:28][n:33][cH:32][cH:31]4)[CH2:25][CH2:26]3)[c:15]2[CH3:16])[n:4][cH:5][n:6][cH:7]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 923Sodium ion3×HCID 19660Carbonate IonHCID 30165Iodide IonHCID 745714-(Chloromethyl)pyridineHCID 22460779HCID 22460779, compound

Product 1

HCID 22460801HCID 22460801, compound

Sources & evidence

ORD record
ord-827f6794011149afae79794e341ba651
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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