Hydrochloric Acid → HCID 67228315, compound

HRID 139932Notes

Reaction equation

HRID 139932 reaction equation
[CH3:54][S:55]([CH3:56])=[O:57].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:2][c:3]1[n:4][c:5](-[c:19]2[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[cH:6][c:7]2[n:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]1)[n:11]2.[ClH:1].[ClH:27].[NH2:28][c:29]1[n:30][c:31]([NH:41][CH2:42][CH2:43][NH2:44])[cH:32][cH:33][c:34]1[C:35]([C:36]([F:37])([F:38])[F:39])=[O:40]>>[c:3]1([NH:44][CH2:43][CH2:42][NH:41][c:31]2[n:30][c:29]([NH2:28])[c:34]([C:35]([C:36]([F:37])([F:38])[F:39])=[O:40])[cH:33][cH:32]2)[n:4][c:5](-[c:19]2[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[cH:6][c:7]2[n:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]1)[n:11]2

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 679Dimethyl SulfoxideHCID 81531DiisopropylethylamineHCID 57911743HCID 57911743, compoundHCID 583059825-Chloro-7-(2,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidine

Product 1

HCID 67228315HCID 67228315, compound

Sources & evidence

ORD record
ord-a01cba92c9f44f799fe6c90f29000dff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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