Hexane → HCID 178509668, compound

HRID 2149909Notes

Reaction equation

HRID 2149909 reaction equation
[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:70][CH2:71][CH2:72][CH2:73][CH2:74][CH3:75].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[N+:30]([c:31]1[cH:32][cH:33][c:34]([O:39][C:40](=[O:35])[N:42]2[C:43](=[O:63])[O:44][CH:45]([CH2:55][O:56][CH:57]3[O:58][CH2:59][CH2:60][CH2:61][CH2:62]3)[CH:46]2[c:47]2[cH:48][c:49]([F:54])[c:50]([F:53])[cH:51][cH:52]2)[cH:36][cH:37]1)([O-:38])=[O:41].[NH2:1][CH:2]1[CH2:3][N:4]([CH:7]2[CH2:8][CH2:9][N:10]([c:13]3[c:14]([C:15]#[N:16])[cH:17][cH:18][cH:19][cH:20]3)[CH2:11][CH2:12]2)[CH2:5][CH2:6]1>>[NH:1]([CH:2]1[CH2:3][N:4]([CH:7]2[CH2:8][CH2:9][N:10]([c:13]3[c:14]([C:15]#[N:16])[cH:17][cH:18][cH:19][cH:20]3)[CH2:11][CH2:12]2)[CH2:5][CH2:6]1)[C:40](=[O:39])[N:42]1[C:43](=[O:63])[O:44][CH:45]([CH2:55][O:56][CH:57]2[O:58][CH2:59][CH2:60][CH2:61][CH2:62]2)[CH:46]1[c:47]1[cH:48][c:49]([F:54])[c:50]([F:53])[cH:51][cH:52]1

Participants

6

Reactant 5

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 22132356HCID 22132356, compoundHCID 77748542HCID 77748542, compound

Product 1

HCID 178509668HCID 178509668, compound

Sources & evidence

ORD record
ord-ab7d569244124169a6579bda1c56568f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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