Hydrochloric Acid → tert-butyl 4-(1-(4-methoxybenzyl)-4-(2-fluoro-4-(1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-5-carboxamido)phenoxy)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1,4-diazepane-1-carboxylate

HRID 2321105Notes

Reaction equation

HRID 2321105 reaction equation
[CH2:60]([N:61]=[C:62]=[N:63][CH2:64][CH2:65][CH2:66][N:67]([CH3:68])[CH3:69])[CH3:70].[CH2:81]([N:82]([CH:83]([CH3:84])[CH3:85])[CH:86]([CH3:87])[CH3:88])[CH3:89].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([N:26]3[CH2:27][CH2:28][N:29]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:30][CH2:31][CH2:32]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH2:24])[cH:22][cH:23]2)[cH:40][cH:41]1.[CH3:90][S:91]([CH3:92])=[O:93].[ClH:59].[F:42][c:43]1[cH:44][cH:45][c:46](-[n:49]2[n:50][cH:51][cH:52][c:53]([C:56](=[O:57])[OH:58])[c:54]2=[O:55])[cH:47][cH:48]1.[n:71]1([OH:72])[c:73]2[cH:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([N:26]3[CH2:27][CH2:28][N:29]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:30][CH2:31][CH2:32]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:25])[cH:20][c:21]([NH:24][C:56]([c:53]3[cH:52][cH:51][n:50][n:49](-[c:46]4[cH:45][cH:44][c:43]([F:42])[cH:48][cH:47]4)[c:54]3=[O:55])=[O:57])[cH:22][cH:23]2)[cH:40][cH:41]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 667671712-(4-Fluorophenyl)-3-oxo-2,3-dihydropyridazine-4-carboxylic acidHCID 68515034tert-butyl 4-(1-(4-methoxybenzyl)-4-(4-amino-2-fluorophenoxy)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1,4-diazepane-1-carboxylate

Product 1

HCID 68511540tert-butyl 4-(1-(4-methoxybenzyl)-4-(2-fluoro-4-(1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-5-carboxamido)phenoxy)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1,4-diazepane-1-carboxylate

Sources & evidence

ORD record
ord-f03154f85e6c4e1389ea70cde0a78d16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…