Water → N-[3-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-4-methylphenyl]-3-(trifluoromethoxy)benzamide

HRID 2128757Notes

Reaction equation

HRID 2128757 reaction equation
[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12]1)([F:13])[F:14].[NH2:39][c:40]1[cH:41][cH:42][c:43]([CH3:62])[c:44]([O:45][c:46]2[cH:47][cH:48][c:49]3[c:50]([n:51]2)[s:52][c:53]([NH:55][C:56](=[O:57])[CH:58]2[CH2:59][CH2:60]2)[n:54]3)[cH:61]1.[OH2:63].[P-:15]([F:16])([F:17])([F:18])([F:19])([F:20])[F:21].[cH:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1.[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[n:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([C:7](=[O:9])[NH:39][c:40]2[cH:41][cH:42][c:43]([CH3:62])[c:44]([O:45][c:46]3[cH:47][cH:48][c:49]4[c:50]([n:51]3)[s:52][c:53]([NH:55][C:56](=[O:57])[CH:58]3[CH2:59][CH2:60]3)[n:54]4)[cH:61]2)[cH:10][cH:11][cH:12]1)([F:13])[F:14]

Participants

7

Reactant 6

HCID 962WaterHCID 1049PyridineHCID 9886HexafluorophosphateHCID 660963-(Trifluoromethoxy)benzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58451281HCID 58451281, compound

Product 1

HCID 59506998N-[3-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-4-methylphenyl]-3-(trifluoromethoxy)benzamide

Sources & evidence

ORD record
ord-ac1dfe3f64bf4b8395ad5e4167cb61d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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