Hydrochloric Acid → HCID 178422260, compound

HRID 146300Notes

Reaction equation

HRID 146300 reaction equation
[CH3:2][c:3]1[cH:4][c:5]2[c:11]([s:12]1)[NH:10][c:9]1[c:8]([cH:16][cH:15][cH:14][cH:13]1)[N:7]=[C:6]2[NH2:17].[CH3:45][S:46]([CH3:47])=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[ClH:1].[F:18][C:19]([c:20]1[c:21]([CH2:26][CH2:27][CH:28]2[NH:29][CH2:30][CH2:31][NH:32][CH2:33]2)[cH:22][cH:23][cH:24][cH:25]1)([F:34])[F:35].[OH2:55]>>[CH3:2][c:3]1[cH:4][c:5]2[c:11]([s:12]1)[NH:10][c:9]1[c:8]([cH:16][cH:15][cH:14][cH:13]1)[N:7]=[C:6]2[N:17]1[CH2:31][CH2:30][NH:29][CH:28]([CH2:27][CH2:26][c:21]2[c:20]([C:19]([F:18])([F:34])[F:35])[cH:25][cH:24][cH:23][cH:22]2)[CH2:33]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 21093645HCID 21093645, compoundHCID 135446208Olanzamine

Product 1

HCID 178422260HCID 178422260, compound

Sources & evidence

ORD record
ord-570930ca7f514c96a6fca50f21545592
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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