3-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine → Cis-N2-(4-{4-amino-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-1,3-benzothiazol-2-amine

HRID 291384Notes

Reaction equation

HRID 291384 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:39][c:40]3[s:41][c:42]4[c:43]([n:44]3)[cH:45][cH:46][cH:47][cH:48]4)[cH:37][cH:38]2)[O:49]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.[NH2:50][c:51]1[n:52][cH:53][n:54][c:55]2[n:56]([CH:57]3[CH2:58][CH2:59][CH:60]([N:61]4[CH2:62][CH2:63][N:64]([CH3:65])[CH2:66][CH2:67]4)[CH2:68][CH2:69]3)[n:70][c:71](-[c:72]3[cH:73][cH:74][c:75]([NH:76][c:77]4[o:78][c:79]5[cH:80][cH:81][cH:82][cH:83][c:84]5[n:85]4)[c:86]([F:87])[cH:88]3)[c:89]12>>[c:2]1(-[c:33]2[cH:34][cH:35][c:36]([NH:39][c:40]3[s:41][c:42]4[c:43]([n:44]3)[cH:45][cH:46][cH:47][cH:48]4)[cH:37][cH:38]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 22347024N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]thiazol-2-amine

Product 1

HCID 20817085Cis-N2-(4-{4-amino-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-1,3-benzothiazol-2-amine

Sources & evidence

ORD record
ord-e2280a7ae4bf49df90887b5912483c08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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