3-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine → HCID 20817086, compound

HRID 152313Notes

Reaction equation

HRID 152313 reaction equation
[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([c:33]2[cH:34][cH:35][c:36]([NH:37][c:38]3[o:39][c:40]4[cH:41][cH:42][cH:43][cH:44][c:45]4[n:46]3)[cH:47][cH:48]2)[O:49]1.[I:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7][c:8]2[NH2:9])[n:10]([CH:11]2[CH2:12][CH2:13][CH:14]([N:15]3[CH2:16][CH2:17][N:18]([CH3:19])[CH2:20][CH2:21]3)[CH2:22][CH2:23]2)[n:24]1.[NH2:50][c:51]1[c:52]2[c:53]([n:54][cH:55][n:56]1)[n:57]([CH:77]1[CH2:78][CH2:79][CH:80]([N:83]3[CH2:84][CH2:85][N:86]([CH3:89])[CH2:87][CH2:88]3)[CH2:81][CH2:82]1)[n:58][c:59]2-[c:60]1[cH:61][c:62]([F:76])[c:63]([NH:66][c:67]2[o:68][c:69]3[c:70]([n:71]2)[cH:72][cH:73][cH:74][cH:75]3)[cH:64][cH:65]1>>[NH2:50][c:51]1[c:52]2[c:53]([n:54][cH:55][n:56]1)[n:57]([CH:77]1[CH2:78][CH2:79][CH:80]([N:83]3[CH2:84][CH2:85][N:86]([CH3:89])[CH2:87][CH2:88]3)[CH2:81][CH2:82]1)[n:58][c:59]2-[c:60]1[cH:61][cH:62][c:63]([NH:66][c:67]2[o:68][c:69]3[c:70]([n:71]2)[cH:72][cH:73][cH:74][cH:75]3)[cH:64][cH:65]1

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 22346815N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]oxazol-2-amine

Product 1

HCID 20817086HCID 20817086, compound

Sources & evidence

ORD record
ord-b04b1592d70446b0a9ff12962e1e03f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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