Toluene → HCID 11725318, compound

HRID 695910Notes

Reaction equation

[Br:19][c:20]1[c:21]([C:22]#[N:23])[cH:24][cH:25][cH:26][cH:27]1.[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[N:1]1([CH2:8][c:9]2[nH:10][c:11]3[cH:12][cH:13][c:14]([F:18])[cH:15][c:16]3[cH:17]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1.[cH:28]1[cH:29][cH:30][c:31]([P:32]([c:33]2[cH:34][cH:35][c:36]3[c:37]([cH:38][cH:39][cH:40][cH:41]3)[c:42]2-[c:43]2[c:44]3[c:45]([cH:46][cH:47][cH:48][cH:49]3)[cH:50][cH:51][c:52]2[P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73]1>>[N:1]1([CH2:8][c:9]2[nH:10][c:11]3[cH:12][cH:13][c:14]([F:18])[cH:15][c:16]3[cH:17]2)[CH2:2][CH2:3][N:4]([c:20]2[c:21]([C:22]#[N:23])[cH:24][cH:25][cH:26][cH:27]2)[CH2:5][CH2:6][CH2:7]1

Participants

Reactant 4

HCID 1140Toluene

HCID 162722-Bromobenzonitrile

HCID 634876Binap, (A+-)-

HCID 22065959HCID 22065959, compound

Product 1

HCID 11725318HCID 11725318, compound

Sources & evidence

ORD record: ord-0eb9f4c7792f45fc8cb797799be3e66d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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