Isopropanol → HCID 178518501, compound

HRID 169925Notes

Reaction equation

HRID 169925 reaction equation
[CH:1]1([NH:4][c:5]2[n:6][c:7]([S:22]([CH3:23])=[O:24])[n:8][c:9]3[n:10]2[n:11][cH:12][c:13]3[CH:14]=[C:15]2[C:16](=[O:21])[NH:17][C:18](=[O:20])[NH:19]2)[CH2:2][CH2:3]1.[CH:25]1([NH:26][c:27]2[n:28]3[n:29][cH:30][c:31]([CH:32]=[C:33]4[C:34](=[O:35])[NH:36][C:37](=[O:38])[NH:39]4)[c:40]3[n:41][c:42]([S:43]([CH3:44])(=[O:45])=[O:46])[n:47]2)[CH2:48][CH2:49]1.[CH:62]([OH:63])([CH3:64])[CH3:65].[nH:50]1[cH:51][n:52][c:53]2[c:54]1[cH:55][cH:56][c:57]([C:59](=[O:60])[OH:61])[cH:58]2>>[CH:1]1([NH:4][c:5]2[n:6][c:7](-[n:50]3[cH:51][n:52][c:53]4[c:54]3[cH:55][cH:56][c:57]([C:59](=[O:60])[OH:61])[cH:58]4)[n:8][c:9]3[n:10]2[n:11][cH:12][c:13]3[CH:14]=[C:15]2[C:16](=[O:21])[NH:17][C:18](=[O:20])[NH:19]2)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 178504623HCID 178504623, compoundHCID 178504851HCID 178504851, compoundHCID 178524171HCID 178524171, compound

Product 1

HCID 178518501HCID 178518501, compound

Sources & evidence

ORD record
ord-aac1500632f445749781051af02050c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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