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Sodium Ion → tert-butyl 4-{1-(2-tetrahydropyranyl)-1H-indazol-5-ylamino}benzoate

HRID 117281
Notes
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Reaction equation

HRID 117281 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1.[C:49]([NH:50][c:51]1[c:52]([CH3:53])[cH:54][c:55]([C:56]([O:57][CH3:58])=[O:59])[c:60]([CH3:61])[cH:62]1)(=[O:63])[CH3:64].[CH3:65][C:66]([CH3:67])([O-:68])[CH3:69].[CH3:71][CH2:72][O:73][CH2:74][CH3:75].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[Na+:70].[O:15]1[CH2:16][CH2:17][O:18][CH2:19][CH2:20][O:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][O:27][CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[O:33]1[CH:34]([n:39]2[n:40][cH:41][c:42]3[cH:43][c:44]([NH2:48])[cH:45][cH:46][c:47]23)[CH2:35][CH2:36][CH2:37][CH2:38]1>>[c:2]1([NH:48][c:44]2[cH:43][c:42]3[cH:41][n:40][n:39]([CH:34]4[O:33][CH2:38][CH2:37][CH2:36][CH2:35]4)[c:47]3[cH:46][cH:45]2)[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 923Sodium IonHCID 1140TolueneHCID 3283Diethyl EtherHCID 2855718-Crown-6HCID 327521Methyl 4-acetamido-2,5-dimethylbenzoateHCID 45749132-Methylpropan-2-olateHCID 11334366Tert-butyl 4-bromobenzoate
HCID 22933927
1-(Oxan-2-yl)-1H-indazol-5-amine

Product 1

HCID 69433104tert-butyl 4-{1-(2-tetrahydropyranyl)-1H-indazol-5-ylamino}benzoate

Sources & evidence

ORD record
ord-9f132d29f1594bbdb99ebcbac3478474
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