Hydrochloric Acid → HCID 21966751, compound

HRID 684407Notes

Reaction equation

HRID 684407 reaction equation
[CH3:50][C:51]([OH:52])([CH3:53])[CH3:54].[ClH:47].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][c:9]([O:17][CH2:18][CH:19]3[N:20]([CH3:24])[CH2:21][CH2:22][CH2:23]3)[c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]2)[cH:25][cH:26][cH:27][n:28]1.[F:29][C:30]([F:31])([F:32])[C:33]([OH:34])=[O:35].[NH2:36][c:37]1[c:38]2[c:42]([cH:43][cH:44][cH:45]1)[C:41](=[O:46])[NH:40][CH2:39]2.[Na+:49].[OH-:48]>>[c:2]1([NH:36][c:37]2[c:38]3[c:42]([cH:43][cH:44][cH:45]2)[C:41](=[O:46])[NH:40][CH2:39]3)[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][c:9]([O:17][CH2:18][CH:19]3[N:20]([CH3:24])[CH2:21][CH2:22][CH2:23]3)[c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]2)[cH:25][cH:26][cH:27][n:28]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 6386tert-ButanolHCID 6422Trifluoroacetic acidHCID 98555134-AMINOISOINDOLIN-1-ONEHCID 69439673HCID 69439673, compound

Product 1

HCID 21966751HCID 21966751, compound

Sources & evidence

ORD record
ord-dbdcb4ea21da4b5788f9dccbf029e651
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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