Ammonia → SB-431542

HRID 1220515Notes

Reaction equation

HRID 1220515 reaction equation
[ClH:1].[NH3:31].[O:2]1[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9](-[c:11]1[n:12][c:13](-[c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[Cl:28])[cH:29][cH:30]3)[nH:14][c:15]1-[c:16]1[n:17][cH:18][cH:19][cH:20][cH:21]1)[cH:10]2.[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1>>[O:2]1[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9](-[c:11]1[n:12][c:13](-[c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[NH2:31])[cH:29][cH:30]3)[nH:14][c:15]1-[c:16]1[n:17][cH:18][cH:19][cH:20][cH:21]1)[cH:10]2

Participants

5

Reactant 4

HCID 222AmmoniaHCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 22394524HCID 22394524, compound

Product 1

HCID 4521392SB-431542

Sources & evidence

ORD record
ord-6d6385facb7a47cda2f4225faf051262
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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