3-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine → HCID 20817080, compound

HRID 1565867Notes

Reaction equation

HRID 1565867 reaction equation
[F:25][c:26]1[c:27]([NH:41][c:42]2[o:43][c:44]3[c:45]([n:46]2)[cH:47][c:48]([CH3:52])[cH:49][c:50]3[CH3:51])[cH:28][cH:29][c:30]([B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[cH:31]1.[I:1][c:2]1[n:3][n:4]([CH:12]2[CH2:13][CH2:14][CH:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[NH2:53][c:54]1[n:55][cH:56][n:57][c:58]2[n:59]([CH:60]3[CH2:61][CH2:62][CH:63]([N:64]4[CH2:65][CH2:66][N:67]([CH3:68])[CH2:69][CH2:70]4)[CH2:71][CH2:72]3)[n:73][c:74](-[c:75]3[cH:76][cH:77][c:78]([NH:79][c:80]4[o:81][c:82]5[cH:83][cH:84][cH:85][cH:86][c:87]5[n:88]4)[c:89]([F:90])[cH:91]3)[c:92]12>>[c:2]1(-[c:30]2[cH:29][cH:28][c:27]([NH:41][c:42]3[o:43][c:44]4[c:45]([n:46]3)[cH:47][c:48]([CH3:52])[cH:49][c:50]4[CH3:51])[c:26]([F:25])[cH:31]2)[n:3][n:4]([CH:12]2[CH2:13][CH2:14][CH:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12

Participants

4

Reactant 3

HCID 208170473-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amineHCID 20817079Trans-N2-(4-{4-amino-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenyl)-1,3-benzoxazol-2-amineHCID 22347098(5,7-Dimethyl-benzoxazol-2-yl)-[2-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amine

Product 1

HCID 20817080HCID 20817080, compound

Sources & evidence

ORD record
ord-4b406e81db3f4cac9920c730aa33bbcc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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