Acetone → HCID 22174498, compound

HRID 180239Notes

Reaction equation

HRID 180239 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH2:13][O:14][CH2:15][c:16]2[c:17]([NH:23][c:24]3[cH:25][c:26]([Cl:39])[c:27]([C:30](=[O:31])[c:32]4[c:33]([CH3:38])[cH:34][cH:35][cH:36][cH:37]4)[cH:28][cH:29]3)[cH:18][cH:19][c:20]([Br:22])[cH:21]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:42][C:43](=[O:44])[CH3:45].[I-:40].[Na+:41].[OH2:46]>>[CH2:12]([CH2:13][O:14][CH2:15][c:16]1[c:17]([NH:23][c:24]2[cH:25][c:26]([Cl:39])[c:27]([C:30](=[O:31])[c:32]3[c:33]([CH3:38])[cH:34][cH:35][cH:36][cH:37]3)[cH:28][cH:29]2)[cH:18][cH:19][c:20]([Br:22])[cH:21]1)[I:40]

Participants

6

Reactant 5

HCID 180AcetoneHCID 923Sodium ionHCID 962WaterHCID 30165Iodide IonHCID 10304676HCID 10304676, compound

Product 1

HCID 22174498HCID 22174498, compound

Sources & evidence

ORD record
ord-9ab1ff9fb73747d08f78a6a5725fe6b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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