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

HRID 667548Notes

Reaction equation

HRID 667548 reaction equation
[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[Cl:25][c:26]1[c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][cH:33][c:34]1[O:35][C:36]([CH3:37])([CH3:38])[C:39]#[N:40].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[c:10]([n:11]2)[s:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][c:23]1[Cl:24].[OH2:77].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[cH:71]1[cH:72][cH:73][n:74][cH:75][cH:76]1.[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[c:10]([n:11]2)[s:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][c:23]1[Cl:24])[C:28]([c:27]1[c:26]([Cl:25])[c:34]([O:35][C:36]([CH3:37])([CH3:38])[C:39]#[N:40])[cH:33][cH:32][cH:31]1)=[O:29]

Participants

8

Reactant 7

HCID 962WaterHCID 1049PyridineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57384284N-[5-(3-amino-4-chlorophenoxy) [1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamideHCID 684177462-Chloro-3-(1-cyano-1-methylethoxy)benzoic acid

Product 1

HCID 595070252-chloro-N-[2-chloro-5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)phenyl]-3-(1-cyano-1-methylethoxy)benzamide

Sources & evidence

ORD record
ord-b9d2e7ee5b594e1fae3e4ce6a7cd609d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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