Acetone → HCID 178502785, compound

HRID 106163Notes

Reaction equation

HRID 106163 reaction equation
[CH3:1][N:2]1[N:3]=[N:4][N:5]([S:7][CH:8]2[CH:9]([NH:13][C:14]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[C:10](=[O:12])[NH:11]2)[CH2:6]1.[CH3:62][C:63](=[O:64])[CH3:65].[Cl:45][CH2:46][C:47](=[O:48])[NH:49][c:50]1[s:51][cH:52][c:53]([C:55]([C:56](=[O:57])[OH:58])=[N:59][O:60][CH3:61])[n:54]1.[OH2:33].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1>>[CH3:1][N:2]1[N:3]=[N:4][N:5]([S:7][CH:8]2[CH:9]([NH:13][C:56]([C:55]([c:53]3[cH:52][s:51][c:50]([NH:49][C:47]([CH2:46][Cl:45])=[O:48])[n:54]3)=[N:59][O:60][CH3:61])=[O:58])[C:10](=[O:12])[NH:11]2)[CH2:6]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 581157C8H8ClN3O4SHCID 178481320HCID 178481320, compound

Product 1

HCID 178502785HCID 178502785, compound

Sources & evidence

ORD record
ord-961c1bd3c6a74a1cbc536fc411326f95
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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