Acetone → HCID 21948669, compound

HRID 1139658Notes

Reaction equation

HRID 1139658 reaction equation
[CH3:52][C:53](=[O:54])[CH3:55].[Cl:1][c:2]1[c:3]([C:30]([O:31][CH2:32][CH3:33])([O:34][CH2:38][CH3:39])[O:35][CH2:36][CH3:37])[cH:4][cH:5][c:6]2[n:7]1[n:8][c:9](-[c:23]1[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]1)[c:10]2-[c:11]1[n:12][c:13]([NH:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[n:14][cH:15][cH:16]1.[OH2:40].[OH2:56].[c:41]1([CH3:42])[cH:43][cH:44][c:45]([S:46]([OH:47])(=[O:48])=[O:49])[cH:50][cH:51]1>>[Cl:1][c:2]1[c:3]([C:30]([O:31][CH2:32][CH3:33])=[O:34])[cH:4][cH:5][c:6]2[n:7]1[n:8][c:9](-[c:23]1[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]1)[c:10]2-[c:11]1[n:12][c:13]([NH:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[n:14][cH:15][cH:16]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 962Water2×HCID 6101p-Toluenesulfonic acidHCID 21948668HCID 21948668, compound

Product 1

HCID 21948669HCID 21948669, compound

Sources & evidence

ORD record
ord-f6ba4961aff64983acceb1a24aac1723
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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