Isopropanol → HCID 59381897, compound

HRID 179060Notes

Reaction equation

HRID 179060 reaction equation
[CH:53]([OH:54])([CH3:55])[CH3:56].[Cl:1][c:2]1[n:3][cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([NH:18][C:19]([c:20]3[c:21]([CH3:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)=[O:31])[cH:14][cH:15][c:16]2[CH3:17])[cH:6][n:7]1.[NH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45].[n:32]1[cH:33][c:34]([NH2:38])[cH:35][cH:36][cH:37]1>>[c:2]1([NH:38][c:34]2[cH:33][n:32][cH:37][cH:36][cH:35]2)[n:3][cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([NH:18][C:19]([c:20]3[c:21]([CH3:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)=[O:31])[cH:14][cH:15][c:16]2[CH3:17])[cH:6][n:7]1

Participants

6

Reactant 5

HCID 3776IsopropanolHCID 6115AnilineHCID 6422Trifluoroacetic acidHCID 100093-AminopyridineHCID 59381868HCID 59381868, compound

Product 1

HCID 59381897HCID 59381897, compound

Sources & evidence

ORD record
ord-9ba360c4e8194b3aba7be8815c3dac54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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