Ethanol → HCID 68687399, compound

HRID 2332426Notes

Reaction equation

HRID 2332426 reaction equation
[CH3:36][CH2:37][OH:38].[H:34][H:35].[N:1](=[N+:2]=[N-:3])[CH2:4][c:5]1[cH:6][c:7]([CH:11]([CH3:12])[NH:13][c:14]2[n:15][cH:16][c:17]([C:32]#[N:33])[c:18](-[c:20]3[cH:21][n:22][c:23]4[n:24]3[cH:25][cH:26][cH:27][c:28]4[CH:29]([F:30])[F:31])[n:19]2)[cH:8][cH:9][cH:10]1>>[NH2:1][CH2:4][c:5]1[cH:6][c:7]([CH:11]([CH3:12])[NH:13][c:14]2[n:15][cH:16][c:17]([C:32]#[N:33])[c:18](-[c:20]3[cH:21][n:22][c:23]4[n:24]3[cH:25][cH:26][cH:27][c:28]4[CH:29]([F:30])[F:31])[n:19]2)[cH:8][cH:9][cH:10]1

Participants

4

Reactant 3

HCID 702EthanolHCID 86619141HCID 86619141, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 68687399HCID 68687399, compound

Sources & evidence

ORD record
ord-a0aea7dd8418453c95b1abd442fb2777
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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