Trifluoroacetic acid → Trifluoroacetic acid

HRID 141434Notes

Reaction equation

HRID 141434 reaction equation
[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][c:12]([O:28][CH3:29])[c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[c:21]([Cl:23])[n:22]2)[cH:14][cH:15]1.[F:42][C:43]([C:44](=[O:45])[OH:46])([F:47])[F:48].[NH2:30][c:31]1[cH:32][cH:33][cH:34][c:35]2[c:39]1[C:38](=[O:40])[N:37]([OH:41])[CH2:36]2>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][c:12]([O:28][CH3:29])[c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[c:21]([NH:30][c:31]3[cH:32][cH:33][cH:34][c:35]4[c:39]3[C:38](=[O:40])[N:37]([OH:41])[CH2:36]4)[n:22]2)[cH:14][cH:15]1.[F:42][C:43]([C:44](=[O:45])[OH:46])([F:47])[F:48]

Participants

5

Reactant 3

HCID 6422Trifluoroacetic acidHCID 672547907-Amino-2,3-dihydro-2-hydroxy-1H-isoindol-1-oneHCID 86654002Diethyl (4-{[4-chloro-5-(trifluoromethyl) pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

Product 2

HCID 6422Trifluoroacetic acidHCID 582930327-[[2-[4-(diethoxyphosphorylmethyl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-hydroxy-3H-isoindol-1-one

Sources & evidence

ORD record
ord-9c2d7eadd9b24295b6d538571938579e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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