Isopropanol → HCID 59313019, compound

HRID 2126470Notes

Reaction equation

HRID 2126470 reaction equation
[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[CH:50]([OH:51])([CH3:52])[CH3:53].[Cl:23][c:24]1[n:25][c:26](-[c:33]2[c:34]([Cl:40])[cH:35][c:36]([Cl:39])[cH:37][cH:38]2)[cH:27][c:28]2[n:29]1[cH:30][cH:31][n:32]2.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:8][CH2:9][CH2:10][CH2:11][NH:12][c:13]1[cH:14][cH:15][c:16]([N+:20](=[O:21])[O-:22])[c:17]([NH2:19])[n:18]1>>[NH:8]([CH2:9][CH2:10][CH2:11][NH:12][c:13]1[cH:14][cH:15][c:16]([N+:20](=[O:21])[O-:22])[c:17]([NH2:19])[n:18]1)[c:24]1[n:25][c:26](-[c:33]2[c:34]([Cl:40])[cH:35][c:36]([Cl:39])[cH:37][cH:38]2)[cH:27][c:28]2[n:29]1[cH:30][cH:31][n:32]2

Participants

6

Reactant 5

HCID 3776IsopropanolHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 57911761HCID 57911761, compoundHCID 59312932HCID 59312932, compound

Product 1

HCID 59313019HCID 59313019, compound

Sources & evidence

ORD record
ord-3a3d2f02727d4136be9b2885cc183fa9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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