Dichloromethane → 1,1-dimethylethyl 4-[(3'-{[({1-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]cyclopropyl}carbonyl)amino]methyl}-3-biphenylyl)methyl]-1-piperidinecarboxylate

HRID 2135763Notes

Reaction equation

HRID 2135763 reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:29][CH3:30])[c:10]([CH2:19][NH:20][C:21](=[O:22])[C:23]1([C:26](=[O:27])[OH:28])[CH2:24][CH2:25]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:83][CH2:84][N:85]([CH2:86][CH3:87])[CH2:88][CH3:89].[Cl:90][CH2:91][Cl:92].[NH2:31][CH2:32][c:33]1[cH:34][c:35](-[c:39]2[cH:40][c:41]([CH2:45][CH:46]3[CH2:47][CH2:48][N:49]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:50][CH2:51]3)[cH:42][cH:43][cH:44]2)[cH:36][cH:37][cH:38]1.[P-:59]([F:60])([F:61])([F:62])([F:63])([F:64])[F:65].[n:66]1([O:67][C:68]([N:69]([CH3:70])[CH3:71])=[N+:72]([CH3:73])[CH3:74])[c:75]2[cH:76][cH:77][cH:78][cH:79][c:80]2[n:81][n:82]1>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:29][CH3:30])[c:10]([CH2:19][NH:20][C:21](=[O:22])[C:23]1([C:26](=[O:27])[NH:31][CH2:32][c:33]3[cH:34][c:35](-[c:39]4[cH:40][c:41]([CH2:45][CH:46]5[CH2:47][CH2:48][N:49]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:50][CH2:51]5)[cH:42][cH:43][cH:44]4)[cH:36][cH:37][cH:38]3)[CH2:24][CH2:25]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 57813360tert-Butyl 4-{[3'-(aminomethyl)biphenyl-3-yl]methyl}piperidine-1-carboxylateHCID 578198681-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]cyclopropanecarboxylic acid

Product 1

HCID 690106661,1-dimethylethyl 4-[(3'-{[({1-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]cyclopropyl}carbonyl)amino]methyl}-3-biphenylyl)methyl]-1-piperidinecarboxylate

Sources & evidence

ORD record
ord-13585adc5e9040c4a8d1e4e13e1b054d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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