Bicarbonate Ion → 7-(3-methylbutyl)-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Reaction equation
[Br:1][c:2]1[cH:3][n:4]([CH2:12][CH2:13][CH:14]([CH3:15])[CH3:16])[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:17][C:18]1([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23][B:24]([c:25]2[cH:26][c:27]3[c:31]([cH:32][cH:33]2)[N:30]([C:34]([CH2:35][c:36]2[cH:37][c:38]([C:42]([F:43])([F:44])[F:45])[cH:39][cH:40][cH:41]2)=[O:46])[CH2:29][CH2:28]3)[O:47]1.[Na+:58].[O-:54][C:55]([OH:56])=[O:57].[OH2:59].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[c:2]1(-[c:25]2[cH:26][c:27]3[c:31]([cH:32][cH:33]2)[N:30]([C:34]([CH2:35][c:36]2[cH:37][c:38]([C:42]([F:43])([F:44])[F:45])[cH:39][cH:40][cH:41]2)=[O:46])[CH2:29][CH2:28]3)[cH:3][n:4]([CH2:12][CH2:13][CH:14]([CH3:15])[CH3:16])[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12Participants
8
Reactant 7
HCID 769Bicarbonate Ion
HCID 923Sodium ion
HCID 962Water
HCID 312751,4-Dioxane
HCID 668234855-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indole
HCID 668237945-Bromo-7-isopentyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-d6d6c809c58e42d9b2f75b1a99d9cc95
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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