Ethyl Acetate → HCID 18697912, compound

HRID 206317Notes

Reaction equation

HRID 206317 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][n:10][c:11]([C:18]([c:19]3[c:20]([N+:29]([O-:30])=[O:31])[cH:21][c:22]([NH:25][C:26]([CH3:27])=[O:28])[cH:23][cH:24]3)=[O:32])[c:12]2[C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:33][cH:34]1.[CH3:35][O:36][c:37]1[cH:38][cH:39][c:40]([CH2:41][n:42]2[c:43]([C:44](=[O:45])[c:46]3[cH:47][cH:48][c:49]([NH:50][C:51](=[O:52])[CH3:53])[cH:54][c:55]3[N+:56]([O-:57])=[O:58])[c:59]([C:60]([O:61][CH2:62][CH3:63])=[O:64])[n:65][n:66]2)[cH:67][cH:68]1.[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][n:10][c:11]([C:18]([c:19]3[c:20]([NH2:29])[cH:21][c:22]([NH:25][C:26]([CH3:27])=[O:28])[cH:23][cH:24]3)=[O:32])[c:12]2[C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:33][cH:34]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 18697812HCID 18697812, compoundHCID 18697820HCID 18697820, compound

Product 1

HCID 18697912HCID 18697912, compound

Sources & evidence

ORD record
ord-ee4c73e9fcf44f3ca29e674c8b8368cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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