Hydrochloric Acid → 2-[[4-(2-Propan-2-yl-1,2,4-triazol-3-yl)-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaen-12-yl]amino]propanamide

HRID 1140493Notes

Reaction equation

HRID 1140493 reaction equation
[CH3:31][N:32]([CH3:33])[C:34](=[O:35])[CH3:36].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][n:23]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2.[ClH:30].[NH2:24][CH:25]([CH3:26])[C:27](=[O:28])[NH2:29]>>[c:2]1([NH:24][CH:25]([CH3:26])[C:27](=[O:28])[NH2:29])[cH:3][c:4]2[c:5]([cH:22][n:23]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 31374DimethylacetamideHCID 3502872-AminopropanamideHCID 582045209-chloro-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepine

Product 1

HCID 774669532-[[4-(2-Propan-2-yl-1,2,4-triazol-3-yl)-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaen-12-yl]amino]propanamide

Sources & evidence

ORD record
ord-9f10913d59d442b89c028690b0c68188
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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