Pyridine → 2-Chloro-3-[(2-Cyanopropan-2-Yl)oxy]-N-{5-[{2-[(Cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-B]pyridin-5-Yl}(Methyl)amino]-2-Fluorophenyl}benzamide

HRID 1205046Notes

Reaction equation

HRID 1205046 reaction equation
[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[O:11][C:12]([CH3:13])([CH3:14])[C:15]#[N:16].[NH2:41][c:42]1[cH:43][c:44]([N:49]([c:50]2[cH:51][cH:52][c:53]3[c:54]([n:55]2)[s:56][c:57]([NH:59][C:60](=[O:61])[CH:62]2[CH2:63][CH2:64]2)[n:58]3)[CH3:65])[cH:45][cH:46][c:47]1[F:48].[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[cH:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1.[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[n:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:41][c:42]2[cH:43][c:44]([N:49]([c:50]3[cH:51][cH:52][c:53]4[c:54]([n:55]3)[s:56][c:57]([NH:59][C:60](=[O:61])[CH:62]3[CH2:63][CH2:64]3)[n:58]4)[CH3:65])[cH:45][cH:46][c:47]2[F:48])[cH:7][cH:8][cH:9][c:10]1[O:11][C:12]([CH3:13])([CH3:14])[C:15]#[N:16]

Participants

6

Reactant 5

HCID 1049PyridineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 684177462-Chloro-3-(1-cyano-1-methylethoxy)benzoic acidHCID 86646059N-{5-[(3-amino-4-fluorophenyl)(methyl)amino][1,3]thiazolo[5,4-b]pyridin-2-yl}cyclopropanecarboxamide

Product 1

HCID 252063462-Chloro-3-[(2-Cyanopropan-2-Yl)oxy]-N-{5-[{2-[(Cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-B]pyridin-5-Yl}(Methyl)amino]-2-Fluorophenyl}benzamide

Sources & evidence

ORD record
ord-221d6805e02345d4b30f1249ef938b3a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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