Ammonium → HCID 57393705, compound

HRID 1137194Notes

Reaction equation

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:51][OH:52].[Cl:1][c:2]1[c:3]([NH:30][c:31]2[c:32]([C:33](=[O:34])[NH:35][CH3:36])[cH:37][cH:38][cH:39][c:40]2[F:41])[n:4][c:5]([NH:8][c:9]2[cH:10][c:11]3[c:12]([cH:28][cH:29]2)[C:13]([CH3:26])([CH3:27])[CH2:14][CH:15]([NH:19][C:20](=[O:21])[C:22]([F:23])([F:24])[F:25])[C:16](=[O:18])[NH:17]3)[n:6][cH:7]1.[NH4+:43].[Na+:50].[OH-:42].[OH-:49]>>[Cl:1][c:2]1[c:3]([NH:30][c:31]2[c:32]([C:33](=[O:34])[NH:35][CH3:36])[cH:37][cH:38][cH:39][c:40]2[F:41])[n:4][c:5]([NH:8][c:9]2[cH:10][c:11]3[c:12]([cH:28][cH:29]2)[C:13]([CH3:26])([CH3:27])[CH2:14][CH:15]([NH2:19])[C:16](=[O:18])[NH:17]3)[n:6][cH:7]1

Participants

Reactant 6

HCID 8028Tetrahydrofuran

HCID 565977732-{5-Chloro-2-[5,5-dimethyl-2-oxo-3-(2,2,2-trifluoro-acetylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-8-ylamino]-pyrimidin-4-ylamino}-3-fluoro-N-methyl-benzamide

Product 1

HCID 57393705HCID 57393705, compound

Sources & evidence

ORD record: ord-9857674931d44e4582b62424ae82f3ac
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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