Trifluoroacetic acid → HCID 178474405, compound

HRID 2331579Notes

Reaction equation

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

Participants

Reactant 2

HCID 6422Trifluoroacetic acid

HCID 72393471Tert-butyl 2-[[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate

Product 1

HCID 178474405HCID 178474405, compound

Sources & evidence

ORD record: ord-b093aec75c2c4b718ba359353598c05b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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