Hydrochloric Acid → {[4-(6-Chloro-3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-2-fluoro-benzylcarbamoyl]-methyl}-carbamic Acid Tert-butyl Ester

HRID 2342479Notes

Reaction equation

HRID 2342479 reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][CH2:33][C:34](=[O:35])[OH:36].[CH3:79][CH2:80][O:81][C:82]([CH3:83])=[O:84].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[ClH:37].[NH2:38][CH2:39][c:40]1[c:41]([F:64])[cH:42][c:43]([C:46](=[O:47])[N:48]2[c:49]3[c:50]([cH:59][c:60]([Cl:63])[cH:61][cH:62]3)[NH:51][c:52]3[n:53]([CH3:58])[n:54][cH:55][c:56]3[CH2:57]2)[cH:44][cH:45]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][CH2:33][C:34](=[O:36])[NH:38][CH2:39][c:40]1[c:41]([F:64])[cH:42][c:43]([C:46](=[O:47])[N:48]2[c:49]3[c:50]([cH:59][c:60]([Cl:63])[cH:61][cH:62]3)[NH:51][c:52]3[n:53]([CH3:58])[n:54][cH:55][c:56]3[CH2:57]2)[cH:44][cH:45]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 78288N-(tert-butoxycarbonyl)glycineHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 136128347[4-(Aminomethyl)-3-fluorophenyl]-(8-chloro-1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

Product 1

HCID 136128360{[4-(6-Chloro-3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-2-fluoro-benzylcarbamoyl]-methyl}-carbamic Acid Tert-butyl Ester

Sources & evidence

ORD record
ord-25cf1dfad6064fd785e1ee85fab07778
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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