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

HRID 288920Notes

Reaction equation

HRID 288920 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.[CH2:134]1[O:135][CH2:136][CH2:137][O:138][CH2:139]1.[F:20][c:21]1[c:22]([CH2:28][C:29](=[O:30])[N:31]2[CH2:32][CH2:33][c:34]3[cH:35][c:36]([B:40]4[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]4)[cH:37][cH:38][c:39]32)[cH:23][c:24]([F:27])[cH:25][cH:26]1.[N:54]#[N:55].[Na+:53].[O-:49][C:50]([OH:51])=[O:52].[OH2:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([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)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([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)[cH:132][cH:133]1>>[c:2]1(-[c:36]2[cH:35][c:34]3[c:39]([cH:38][cH:37]2)[N:31]([C:29]([CH2:28][c:22]2[c:21]([F:20])[cH:26][cH:25][c:24]([F:27])[cH:23]2)=[O:30])[CH2:32][CH2:33]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

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 947NitrogenHCID 962WaterHCID 312751,4-DioxaneHCID 668235701-[(2,5-difluorophenyl)acetyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-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 668235525-{1-[(2,5-difluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-[2-(4-morpholinyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-fc9631cfecdc460c86c8b92b284622a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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