Isopropanol → HCID 178475369, compound

HRID 667117Notes

Reaction equation

HRID 667117 reaction equation
[CH:42]([OH:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[N:10]([CH3:12])[O:9][CH:8]1[C:7]2([OH:39])[CH2:15][CH:14]([C:16](=[O:17])[O:18][CH:19]2[CH:20]([O:35][C:36]([CH3:37])=[O:38])[C:21]([CH3:34])=[CH:22][CH:23]3[CH:24]([C:31](=[CH2:32])[CH3:33])[CH2:25][CH2:26][CH:27]([CH3:30])[C:28]23[OH:29])[NH:13]1.[H:40][H:41]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[N:10]([CH3:12])[O:9][CH:8]1[C:7]2([OH:39])[CH2:15][CH:14]([C:16](=[O:17])[O:18][CH:19]2[CH:20]([O:35][C:36]([CH3:37])=[O:38])[C:21]([CH3:34])=[CH:22][CH:23]3[CH:24]([CH:31]([CH3:32])[CH3:33])[CH2:25][CH2:26][CH:27]([CH3:30])[C:28]23[OH:29])[NH:13]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 18979799(2-acetyloxy-8a-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl) 6-chloro-9b-hydroxy-5-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylateHCID 178418361HCID 178418361, compound

Product 1

HCID 178475369HCID 178475369, compound

Sources & evidence

ORD record
ord-a59f9cc5baaa49be868920c8eda4e6ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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