Bicarbonate Ion → 7-(3-oxetanyl)-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]([CH:12]2[CH2:13][O:14][CH2:15]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:16][C:17]1([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22][B:23]([c:24]2[cH:25][c:26]3[c:30]([cH:31][cH:32]2)[N:29]([C:33]([CH2:34][c:35]2[cH:36][c:37]([C:41]([F:42])([F:43])[F:44])[cH:38][cH:39][cH:40]2)=[O:45])[CH2:28][CH2:27]3)[O:46]1.[Na+:57].[O-:53][C:54]([OH:55])=[O:56].[OH2:58].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[c:2]1(-[c:24]2[cH:25][c:26]3[c:30]([cH:31][cH:32]2)[N:29]([C:33]([CH2:34][c:35]2[cH:36][c:37]([C:41]([F:42])([F:43])[F:44])[cH:38][cH:39][cH:40]2)=[O:45])[CH2:28][CH2:27]3)[cH:3][n:4]([CH:12]2[CH2:13][O:14][CH2:15]2)[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 668240635-bromo-7-(3-oxetanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-a6ba847fa7ad4ee792505f6fb08a6caf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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