Hydrochloric Acid → Hydrochloric Acid

HRID 311044Notes

Reaction equation

HRID 311044 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][c:9]1[cH:10][c:11]([F:32])[c:12]([C:15](=[O:16])[N:17]2[c:18]3[c:19]([cH:28][cH:29][cH:30][cH:31]3)[NH:20][c:21]3[n:22]([CH3:27])[n:23][cH:24][c:25]3[CH2:26]2)[cH:13][cH:14]1)([CH3:5])([CH3:6])[CH3:33].[ClH:34].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1>>[ClH:34].[NH2:7][CH2:8][c:9]1[cH:10][c:11]([F:32])[c:12]([C:15](=[O:16])[N:17]2[c:18]3[c:19]([cH:28][cH:29][cH:30][cH:31]3)[NH:20][c:21]3[n:22]([CH3:27])[n:23][cH:24][c:25]3[CH2:26]2)[cH:13][cH:14]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 136128389[3-Fluoro-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-benzyl]-carbamic Acid Tert-butyl Ester

Product 2

HCID 313Hydrochloric AcidHCID 136128418[4-(Aminomethyl)-2-fluorophenyl]-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

Sources & evidence

ORD record
ord-40594effecd44a7ebf22bbd8698ee1c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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