Water → HCID 59436250, compound

HRID 95142

Reaction equation

HRID 95142 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH3:46][C:47]#[N:48].[CH:30](=[N:31][OH:32])[c:33]1[c:34]([OH:39])[cH:35][cH:36][cH:37][cH:38]1.[Cs+:44].[Cs+:45].[I:1][c:2]1[cH:3][c:4]([O:23][CH3:24])[c:5](-[n:8]2[n:9][c:10]([C:17](=[O:18])[N:19]([CH3:20])[O:21][CH3:22])[c:11](=[O:16])[c:12]([O:14][CH3:15])[cH:13]2)[cH:6][cH:7]1.[OH2:49].[nH:25]1[n:26][cH:27][cH:28][cH:29]1>>[c:2]1(-[n:25]2[n:26][cH:27][cH:28][cH:29]2)[cH:3][c:4]([O:23][CH3:24])[c:5](-[n:8]2[n:9][c:10]([C:17](=[O:18])[N:19]([CH3:20])[O:21][CH3:22])[c:11](=[O:16])[c:12]([O:14][CH3:15])[cH:13]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 1048PyrazoleHCID 6342AcetonitrileHCID 7200Salicylaldehyde oximeHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 59436205HCID 59436205, compound

Product 1

HCID 59436250HCID 59436250, compound

Sources & evidence

ORD record
ord-d2063456caf54a4dbbf5e7f0d7d2b65c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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