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Dichloromethane → cis-4-{4-amino-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl 2,3-dichloro-1-benzenesulfonate

HRID 96161
Notes
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Reaction equation

HRID 96161 reaction equation
[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:31][c:32]1[c:33]([S:39](=[O:40])(=[O:41])[Cl:42])[cH:34][cH:35][cH:36][c:37]1[Cl:38].[Cl:50][CH2:51][Cl:52].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:18]1[CH2:19][CH2:20][CH:21]([N:24]3[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]3)[CH2:22][CH2:23]1)[n:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]1>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:18]1[CH2:19][CH2:20][CH:21]([N:24]3[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]3)[CH2:22][CH2:23]1)[n:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([O:17][S:39]([c:33]2[c:32]([Cl:31])[c:37]([Cl:38])[cH:36][cH:35][cH:34]2)(=[O:40])=[O:41])[cH:15][cH:16]1
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 27342222,3-Dichlorobenzene-1-sulfonyl chlorideHCID 1358414224-{4-amino-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenol

Product 1

HCID 20817056cis-4-{4-amino-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl 2,3-dichloro-1-benzenesulfonate

Sources & evidence

ORD record
ord-6990e5d34c104dcabc983b1dba52733c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes