Hydrochloric Acid → 9-fluoro-N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]-5-oxo-3,4-dihydro-2H-1,4-benzodiazepine-1-carboxamide

HRID 1538038Notes

Reaction equation

HRID 1538038 reaction equation
[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[Cl:15][C:16](=[O:17])[O:18][C:19]([Cl:20])([Cl:21])[Cl:22].[ClH:14].[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[NH:8][CH2:9][CH2:10][NH:11][C:12]2=[O:13].[NH2:32][CH2:33][c:34]1[c:35]([CH3:53])[cH:36][c:37]([C:40](=[O:41])[N:42]2[c:43]3[c:44]([cH:49][cH:50][cH:51][cH:52]3)[CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:38][cH:39]1>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[N:8]([C:16](=[O:17])[NH:32][CH2:33][c:34]1[c:35]([CH3:53])[cH:36][c:37]([C:40](=[O:41])[N:42]3[c:43]4[c:44]([cH:49][cH:50][cH:51][cH:52]4)[CH2:45][CH2:46][CH2:47][CH2:48]3)[cH:38][cH:39]1)[CH2:9][CH2:10][NH:11][C:12]2=[O:13]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 1140TolueneHCID 8028TetrahydrofuranHCID 10426DiphosgeneHCID 81531DiisopropylethylamineHCID 15896086(4-(Aminomethyl)-3-methylphenyl)(2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)methanoneHCID 231111109-Fluoro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

Product 1

HCID 115116809-fluoro-N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]-5-oxo-3,4-dihydro-2H-1,4-benzodiazepine-1-carboxamide

Sources & evidence

ORD record
ord-9dbf4c75752a4c11bd22ff4bc127cf75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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