Hydrochloric Acid → HCID 178521836, compound

HRID 140412

Reaction equation

HRID 140412 reaction equation
[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH3:58][S:59]([CH3:60])=[O:61].[ClH:20].[NH:21]1[CH2:22][CH2:23][C:24](=[CH:27][c:28]2[cH:29][c:30]([O:31][c:32]3[n:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]3)[cH:42][cH:43][cH:44]2)[CH2:25][CH2:26]1.[nH:1]1[n:2][n:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([NH:10][C:11]([O:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)=[O:19])[cH:9]2>>[n:1]1[n:2][nH:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([NH:10][C:11](=[O:19])[N:21]1[CH2:22][CH2:23][C:24](=[CH:27][c:28]3[cH:29][c:30]([O:31][c:32]4[n:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]4)[cH:42][cH:43][cH:44]3)[CH2:25][CH2:26]1)[cH:9]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 668761622-(3-(Piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridineHCID 178521835Phenyl 1H-benzo[d][1,2,3]triazol-5-ylcarbamate

Product 1

HCID 178521836HCID 178521836, compound

Sources & evidence

ORD record
ord-f57bd7ce1b4341e5815169c9695ea1dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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