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

HRID 286332Notes

Reaction equation

HRID 286332 reaction equation
[Br:1][c:2]1[cH:3][n:4]([CH2:12][O:13][CH3:14])[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:15][c:16]1[cH:17][c:18]([CH2:22][C:23](=[O:24])[N:25]2[CH2:26][CH2:27][c:28]3[cH:29][c:30]([B:34]4[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]4)[cH:31][cH:32][c:33]32)[cH:19][cH:20][cH:21]1.[N:48]#[N:49].[Na+:47].[O-:43][C:44]([OH:45])=[O:46].[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:30]2[cH:29][c:28]3[c:33]([cH:32][cH:31]2)[N:25]([C:23]([CH2:22][c:18]2[cH:17][c:16]([CH3:15])[cH:21][cH:20][cH:19]2)=[O:24])[CH2:26][CH2:27]3)[cH:3][n:4]([CH2:12][O:13][CH3:14])[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 668236285-bromo-7-[(methyloxy)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amineHCID 668241231-[(3-methylphenyl)acetyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indoleHCID 178420554HCID 178420554, compound

Product 1

HCID 534686607-[(methyloxy)methyl]-5-{1-[(3-methylphenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-93fb2f44da774149af47311f5b45692f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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