Bicarbonate Ion → 7-[2-(4-morpholinyl)ethyl]-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

HRID 1153213Notes

Reaction equation

HRID 1153213 reaction equation
[Br:1][c:2]1[cH:3][n:4]([CH2:12][CH2:13][N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[CH3:20][C:21]1([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26][B:27]([c:28]2[cH:29][c:30]3[c:34]([cH:35][cH:36]2)[N:33]([C:37]([CH2:38][c:39]2[cH:40][c:41]([C:45]([F:46])([F:47])[F:48])[cH:42][cH:43][cH:44]2)=[O:49])[CH2:32][CH2:31]3)[O:50]1.[Na+:61].[O-:57][C:58]([OH:59])=[O:60].[OH2:62].[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[c:2]1(-[c:28]2[cH:29][c:30]3[c:34]([cH:35][cH:36]2)[N:33]([C:37]([CH2:38][c:39]2[cH:40][c:41]([C:45]([F:46])([F:47])[F:48])[cH:42][cH:43][cH:44]2)=[O:49])[CH2:32][CH2:31]3)[cH:3][n:4]([CH2:12][CH2:13][N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 312751,4-DioxaneHCID 668234855-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indoleHCID 668240265-bromo-7-[2-(4-morpholinyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amineHCID 178420554HCID 178420554, compound

Product 1

HCID 534686637-[2-(4-morpholinyl)ethyl]-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-ad53f2eff48f4e039249a92460035787
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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