Bicarbonate Ion → N-[3-(3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazin-2-yl)-phenyl]-2-(4-trifluoromethyl-phenyl)-acetamide

HRID 684268

Reaction equation

HRID 684268 reaction equation
[B-:46]([F:47])([F:48])([F:49])[F:50].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:73][CH2:74][Cl:75].[F:23][C:24]([c:25]1[cH:26][cH:27][c:28]([CH2:31][C:32](=[O:33])[OH:34])[cH:29][cH:30]1)([F:35])[F:36].[Na+:72].[O-:68][C:69]([OH:70])=[O:71].[n:1]1[cH:2][cH:3][c:4](-[c:7]2[c:8](-[c:16]3[cH:17][c:18]([NH2:22])[cH:19][cH:20][cH:21]3)[n:9][n:10]3[c:11]2[S:12][CH2:13][CH2:14][CH2:15]3)[cH:5][cH:6]1.[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[n:1]1[cH:2][cH:3][c:4](-[c:7]2[c:8](-[c:16]3[cH:17][c:18]([NH:22][C:32]([CH2:31][c:28]4[cH:27][cH:26][c:25]([C:24]([F:23])([F:35])[F:36])[cH:30][cH:29]4)=[O:33])[cH:19][cH:20][cH:21]3)[n:9][n:10]3[c:11]2[S:12][CH2:13][CH2:14][CH2:15]3)[cH:5][cH:6]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 118342(alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acidHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 674228643-(3-Pyridin-4-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazin-2-yl)-phenylamine

Product 1

HCID 46701903N-[3-(3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazin-2-yl)-phenyl]-2-(4-trifluoromethyl-phenyl)-acetamide

Sources & evidence

ORD record
ord-c528b4ae6dc342bb8c846f06c2bd4fe8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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