Hydrochloric Acid → N-[(4-fluorophenyl)methyl]-11-hydroxy-4-(2-methoxyethyl)-7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

HRID 191450Notes

Reaction equation

HRID 191450 reaction equation
[CH3:1][O:2][C:3]([c:4]1[n:5]([CH2:6][CH:7]=[O:8])[cH:9][c:10]([C:11](=[O:12])[NH:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[c:22](=[O:23])[c:24]1[O:25][CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)=[O:33].[CH3:89][OH:90].[Cl:86][CH2:87][Cl:88].[ClH:34].[ClH:35].[F:46][c:47]1[cH:48][cH:49][c:50]([CH2:53][NH:54][C:55](=[O:56])[c:57]2[c:58](=[O:85])[c:59]([O:77][CH2:78][c:79]3[cH:80][cH:81][cH:82][cH:83][cH:84]3)[c:60]3[n:61]([cH:76]2)[CH2:62][CH:63]2[N:64]([CH:65]([CH3:73])[CH2:66][CH2:67][N:68]2[CH2:69][CH2:70][O:71][CH3:72])[C:74]3=[O:75])[cH:51][cH:52]1.[NH2:36][CH:37]([CH3:38])[CH2:39][CH2:40][NH:41][CH2:42][CH2:43][O:44][CH3:45]>>[F:46][c:47]1[cH:48][cH:49][c:50]([CH2:53][NH:54][C:55](=[O:56])[c:57]2[c:58](=[O:85])[c:59]([OH:77])[c:60]3[n:61]([cH:76]2)[CH2:62][CH:63]2[N:64]([CH:65]([CH3:73])[CH2:66][CH2:67][N:68]2[CH2:69][CH2:70][O:71][CH3:72])[C:74]3=[O:75])[cH:51][cH:52]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 6344DichloromethaneHCID 596005723-Benzyloxy-5-(4-fluoro-benzylcarbamoyl)-4-oxo-1-(2-oxo-ethyl)-1,4-dihydro-pyridine-2-carboxylic acid methyl esterHCID 625449521-N-(2-methoxyethyl)butane-1,3-diamineHCID 77150702N-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-7-methyl-9,12-dioxo-11-phenylmethoxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

Product 1

HCID 76182084N-[(4-fluorophenyl)methyl]-11-hydroxy-4-(2-methoxyethyl)-7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

Sources & evidence

ORD record
ord-8799bb7dea9d43559237a067e44349c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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