Hydrochloric Acid → HCID 178422266, compound

HRID 664689Notes

Reaction equation

HRID 664689 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].[CH3:43][S:44]([CH3:45])=[O:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[ClH:1].[F:18][c:19]1[c:20]([CH2:26][CH2:27][CH:28]2[NH:29][CH2:30][CH2:31][NH:32][CH2:33]2)[cH:21][cH:22][c:23]([F:25])[cH:24]1.[OH2:53]>>[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:20]2[c:19]([F:18])[cH:24][c:23]([F:25])[cH:22][cH:21]2)[CH2:33]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 21093641HCID 21093641, compoundHCID 135446208Olanzamine

Product 1

HCID 178422266HCID 178422266, compound

Sources & evidence

ORD record
ord-f7bf6542784a49269716b73c0353ae86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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