Water → HCID 54471283, compound

HRID 121510Notes

Reaction equation

HRID 121510 reaction equation
[C:25](#[N:26])[CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32].[CH2:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[Cl:1][c:2]1[c:3](-[c:8]2[o:9][c:10]([CH3:24])[c:11]([CH2:13][CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]([CH:20]=[O:21])[cH:22][cH:23]3)[n:12]2)[cH:4][cH:5][cH:6][cH:7]1.[OH2:45].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[Cl:1][c:2]1[c:3](-[c:8]2[o:9][c:10]([CH3:24])[c:11]([CH2:13][CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]([CH:20]=[C:27]([C:25]#[N:26])[C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:22][cH:23]3)[n:12]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 7764Ethyl cyanoacetateHCID 8082PiperidineHCID 10991479Benzaldehyde, 4-[2-[2-(2-chlorophenyl)-5-methyl-4-oxazolyl]ethoxy]-

Product 1

HCID 54471283HCID 54471283, compound

Sources & evidence

ORD record
ord-60c0ca40dea84630a9a63691fec8384f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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