Hydrochloric Acid → Bms-777607

HRID 160960Notes

Reaction equation

HRID 160960 reaction equation
[C:55]([O:56][CH3:57])([CH3:58])([CH3:59])[CH3:60].[CH3:50][OH:51].[Cl:1][c:2]1[c:3]([N:36]=[C:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[n:4][cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]([F:35])[cH:11][c:12]([NH:15][C:16](=[O:17])[c:18]2[c:19](=[O:34])[n:20](-[c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[cH:21][cH:22][c:23]2[O:24][CH2:25][CH3:26])[cH:13][cH:14]1.[ClH:52].[Na+:54].[OH-:53].[OH2:61]>>[Cl:1][c:2]1[c:3]([NH2:36])[n:4][cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]([F:35])[cH:11][c:12]([NH:15][C:16](=[O:17])[c:18]2[c:19](=[O:34])[n:20](-[c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[cH:21][cH:22][c:23]2[O:24][CH2:25][CH3:26])[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 15413tert-Butyl methyl etherHCID 86659921N-(4-(3-chloro-2-(diphenylmethyleneamino)pyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

Product 1

HCID 24794418Bms-777607

Sources & evidence

ORD record
ord-31c96ce4355b495bbd39be3aa2b23e27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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