Ammonia → HCID 486407, compound

HRID 138453Notes

Reaction equation

HRID 138453 reaction equation
[CH2:32]1[O:33][CH2:34][CH2:35][O:36][CH2:37]1.[CH3:28][CH:29]([OH:30])[CH3:31].[Cl:1][c:2]1[n:3][c:4]([NH:18][c:19]2[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]2)[n:5][c:6]([NH:8][c:9]2[c:10]([CH3:17])[cH:11][c:12]([CH3:16])[cH:13][c:14]2[CH3:15])[n:7]1.[NH3:27]>>[c:2]1([NH2:27])[n:3][c:4]([NH:18][c:19]2[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]2)[n:5][c:6]([NH:8][c:9]2[c:10]([CH3:17])[cH:11][c:12]([CH3:16])[cH:13][c:14]2[CH3:15])[n:7]1

Participants

5

Reactant 4

HCID 222AmmoniaHCID 3776IsopropanolHCID 312751,4-DioxaneHCID 505445HCID 505445, compound

Product 1

HCID 486407HCID 486407, compound

Sources & evidence

ORD record
ord-229186d45af0412f995ac638f62ba5bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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