Tetrafluoroborate → 1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-[[4-[[4-[[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]amino]pyrrolidine-3-carboxylic acid

HRID 1205565Notes

Reaction equation

HRID 1205565 reaction equation
[B-:62]([F:63])([F:64])([F:65])[F:66].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][NH:21][c:22]2[n:23][c:24]([NH:34][c:35]3[cH:36][cH:37][c:38]([C:39](=[O:40])[OH:41])[cH:42][cH:43]3)[n:25][c:26]([O:28][CH2:29][C:30]([F:31])([F:32])[F:33])[n:27]2)[cH:44][cH:45]1.[CH:84]([N:85]([CH2:86][CH3:87])[CH:88]([CH3:89])[CH3:90])([CH3:91])[CH3:92].[NH2:46][CH:47]1[CH:48]([C:59](=[O:60])[OH:61])[CH2:49][N:50]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:51]1.[n:67]1([O:68][C:69]([N:70]([CH3:71])[CH3:72])=[N+:73]([CH3:74])[CH3:75])[c:76]2[cH:77][cH:78][cH:79][cH:80][c:81]2[n:82][n:83]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][NH:21][c:22]2[n:23][c:24]([NH:34][c:35]3[cH:36][cH:37][c:38]([C:39](=[O:40])[NH:46][CH:47]4[CH:48]([C:59](=[O:60])[OH:61])[CH2:49][N:50]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:51]4)[cH:42][cH:43]3)[n:25][c:26]([O:28][CH2:29][C:30]([F:31])([F:32])[F:33])[n:27]2)[cH:44][cH:45]1

Participants

6

Reactant 5

HCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 5032524-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acidHCID 670742404-(4-(4-(6-(Tert-butoxycarbonylamino)hexyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoic acid

Product 1

HCID 670738391-[(2-Methylpropan-2-yl)oxycarbonyl]-4-[[4-[[4-[[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]amino]pyrrolidine-3-carboxylic acid

Sources & evidence

ORD record
ord-8e70cb8422c7439c9895c6381be2ee5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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