Acetone → HCID 66788528, compound

HRID 1558941Notes

Reaction equation

HRID 1558941 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([S:21](=[O:22])(=[O:23])[c:24]2[c:25]([O:31][CH3:32])[cH:26][cH:27][c:28]([Cl:30])[cH:29]2)[c:12]2[cH:13][c:14]([C:18](=[O:19])[OH:20])[cH:15][cH:16][c:17]21.[CH2:40]([CH3:41])[O:42][C:43]([c:44]1[cH:45][cH:46][c:47]([NH2:50])[cH:48][cH:49]1)=[O:51].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:52][C:53](=[O:54])[CH3:55].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([S:21](=[O:22])(=[O:23])[c:24]2[c:25]([O:31][CH3:32])[cH:26][cH:27][c:28]([Cl:30])[cH:29]2)[c:12]2[cH:13][c:14]([C:18](=[O:19])[NH:50][c:47]3[cH:46][cH:45][c:44]([C:43]([O:42][CH2:40][CH3:41])=[O:51])[cH:49][cH:48]3)[cH:15][cH:16][c:17]21

Participants

6

Sources & evidence

ORD record
ord-8a82e3208f2348ea9868832eb4b3d6ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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