Water → Olanzapine

HRID 1153600Notes

Reaction equation

HRID 1153600 reaction equation
[CH3:17][N:18]1[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1.[CH3:24][CH:25]([OH:26])[CH2:27][CH3:28].[NH2:1][C:2]1=[N:8][c:7]2[c:6]([cH:12][cH:11][cH:10][cH:9]2)[NH:5][c:4]2[c:3]1[cH:15][c:14]([CH3:16])[s:13]2.[OH2:29]>>[N:1]1([C:2]2=[N:8][c:7]3[c:6]([cH:12][cH:11][cH:10][cH:9]3)[NH:5][c:4]3[c:3]2[cH:15][c:14]([CH3:16])[s:13]3)[CH2:20][CH2:19][N:18]([CH3:17])[CH2:23][CH2:22]1

Participants

5

Reactant 4

HCID 962WaterHCID 6568(+-)-2-ButanolHCID 531671-MethylpiperazineHCID 135446208Olanzamine

Product 1

HCID 135398745Olanzapine

Sources & evidence

ORD record
ord-c781eb7815334bb3ac09450078d3282d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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