Acetone → HCID 20390419, compound

HRID 1145838Notes

Reaction equation

HRID 1145838 reaction equation
[CH2:38]1[CH2:39][O:40][CH2:41][CH2:42][NH:43]1.[CH3:44][C:45](=[O:46])[CH3:47].[Cl-:1].[I-:3].[I:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16](=[O:17])[NH:18][NH:19][C:20](=[O:21])[N:22]1[c:23]2[c:24]([cH:33][cH:34][c:35]([Cl:37])[cH:36]2)[O:25][c:26]2[c:27]([cH:29][cH:30][cH:31][cH:32]2)[CH2:28]1.[Na+:10].[Na+:2].[Na+:9].[S:4]([O-:5])([O-:6])(=[O:7])=[S:8]>>[CH2:12]([CH2:13][CH2:14][CH2:15][C:16](=[O:17])[NH:18][NH:19][C:20](=[O:21])[N:22]1[c:23]2[c:24]([cH:33][cH:34][c:35]([Cl:37])[cH:36]2)[O:25][c:26]2[c:27]([cH:29][cH:30][cH:31][cH:32]2)[CH2:28]1)[N:43]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 312ChlorideHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 8083MorpholineHCID 30165Iodide IonHCID 20390435HCID 20390435, compound

Product 1

HCID 20390419HCID 20390419, compound

Sources & evidence

ORD record
ord-feb22476fe8348948cf6b67a7327f4b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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