p-Ethynyltoluene → HCID 70220377, compound

HRID 309204Notes

Reaction equation

HRID 309204 reaction equation
[Br:10][c:11]1[cH:12][cH:13][c:14]([CH:17]2[CH2:18][CH2:19][CH:20]([CH2:23][OH:24])[CH2:21][CH2:22]2)[cH:15][cH:16]1.[CH2:102]1[CH2:103][NH:104][CH2:105][CH2:106]1.[c:1]1([CH3:9])[cH:2][cH:3][c:4]([C:7]#[CH:8])[cH:5][cH:6]1.[cH:25]1[cH:26][cH:27][c:28]([P:29]([Pd:30]([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[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)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101]1>>[c:1]1([CH3:9])[cH:2][cH:3][c:4]([C:7]#[C:8][c:11]2[cH:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][CH:20]([CH2:23][OH:24])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[cH:5][cH:6]1

Participants

5

Reactant 4

HCID 13018p-EthynyltolueneHCID 31268PyrrolidineHCID 21267611HCID 21267611, compoundHCID 178420554HCID 178420554, compound

Product 1

HCID 70220377HCID 70220377, compound

Sources & evidence

ORD record
ord-fdcc63e3582246ad9e0686c2d777ea7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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