Hydrochloric Acid → Ly-2584702

HRID 1228948Notes

Reaction equation

HRID 1228948 reaction equation
[C:6]([O:7][C:8](=[O:9])[N:13]1[CH2:14][CH2:15][CH:16]([c:19]2[n:20]([CH3:35])[cH:21][c:22](-[c:24]3[cH:25][c:26]([C:31]([F:32])([F:33])[F:34])[c:27]([F:30])[cH:28][cH:29]3)[n:23]2)[CH2:17][CH2:18]1)([CH3:10])([CH3:11])[CH3:12].[CH3:2][C:3](=[O:4])[Cl:5].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:53][OH:54].[CH3:56][S:57]([CH3:58])=[O:59].[Cl:43][c:44]1[c:45]2[c:46]([n:47][cH:48][n:49]1)[nH:50][n:51][cH:52]2.[ClH:1].[OH2:55]>>[N:13]1([c:44]2[c:45]3[c:46]([n:47][cH:48][n:49]2)[nH:50][n:51][cH:52]3)[CH2:14][CH2:15][CH:16]([c:19]2[n:20]([CH3:35])[cH:21][c:22](-[c:24]3[cH:25][c:26]([C:31]([F:32])([F:33])[F:34])[c:27]([F:30])[cH:28][cH:29]3)[n:23]2)[CH2:17][CH2:18]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 887MethanolHCID 962WaterHCID 6367Acetyl chlorideHCID 8471TriethylamineHCID 2210954-Chloro-1H-pyrazolo[3,4-d]pyrimidineHCID 666499314-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 25118925Ly-2584702

Sources & evidence

ORD record
ord-5086c8bcfe684f4e8d15bf9440d453bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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