Hydrochloric Acid → HCID 178441582, compound

HRID 120743Notes

Reaction equation

HRID 120743 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7](-[c:22]2[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]2)[s:8][c:9]1[CH2:10][O:11][c:12]1[cH:13][c:14]([Cl:21])[c:15]([CH2:18][C:19]#[N:20])[cH:16][cH:17]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:47][OH:48].[ClH:32].[NH2:33][OH:34].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7](-[c:22]2[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]2)[s:8][c:9]1[CH2:10][O:11][c:12]1[cH:13][c:14]([Cl:21])[c:15]([CH2:18][C:19](=[NH:20])[NH:33][OH:34])[cH:16][cH:17]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 887MethanolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 59296146HCID 59296146, compound

Product 1

HCID 178441582HCID 178441582, compound

Sources & evidence

ORD record
ord-5b14b4474b0c4963a6dbd3d9e3dd5030
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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