Water → HCID 25206185, compound

HRID 694348Notes

Reaction equation

HRID 694348 reaction equation
[CH3:16][N:17]([CH3:18])[CH:19]=[O:20].[CH3:52][N:53]([CH3:54])[C:55](=[O:56])[CH3:57].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[C:11]1([C:14]#[N:15])[CH2:12][CH2:13]1.[Cl:46][C:47]([C:48]([Cl:49])=[O:50])=[O:51].[NH2:21][c:22]1[cH:23][c:24]([O:25][c:26]2[cH:27][cH:28][c:29]3[c:30]([n:31]2)[s:32][c:33]([NH:35][C:36](=[O:37])[CH:38]2[CH2:39][CH2:40]2)[n:34]3)[cH:41][cH:42][c:43]1[F:44].[OH2:45]>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:21][c:22]2[cH:23][c:24]([O:25][c:26]3[cH:27][cH:28][c:29]4[c:30]([n:31]3)[s:32][c:33]([NH:35][C:36](=[O:37])[CH:38]3[CH2:39][CH2:40]3)[n:34]4)[cH:41][cH:42][c:43]2[F:44])[cH:7][cH:8][cH:9][c:10]1[C:11]1([C:14]#[N:15])[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 31374DimethylacetamideHCID 65578Oxalyl chlorideHCID 668103062-Chloro-3-(1-cyanocyclopropyl)benzoic acidHCID 86646022N-[5-(3-amino-4-fluorophenoxy)[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

Product 1

HCID 25206185HCID 25206185, compound

Sources & evidence

ORD record
ord-02086f4b37ab49b48e233c806f8a68b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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