Acetonitrile → HCID 86617513, compound

HRID 663289Notes

Reaction equation

HRID 663289 reaction equation
[CH3:36][N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:43][C:44]#[N:45].[OH:1][C:2]1([c:19]2[cH:20][cH:21][c:22]3[c:23]([nH:24][c:25]([CH2:27][C:28](=[O:29])[O:30][CH2:31][CH2:32][CH2:33][Cl:34])[n:26]3)[cH:35]2)[N:3]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[C:4](=[O:11])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21>>[OH:1][C:2]1([c:19]2[cH:20][cH:21][c:22]3[c:23]([nH:24][c:25]([CH2:27][C:28](=[O:29])[O:30][CH2:31][CH2:32][CH2:33][N:40]4[CH2:39][CH2:38][N:37]([CH3:36])[CH2:42][CH2:41]4)[n:26]3)[cH:35]2)[N:3]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[C:4](=[O:11])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 531671-MethylpiperazineHCID 86617512HCID 86617512, compound

Product 1

HCID 86617513HCID 86617513, compound

Sources & evidence

ORD record
ord-01a165bfbd854cb9a8f4b389fe97c99a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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