Ethyl Acetate → HCID 86737714, compound

HRID 1121669Notes

Reaction equation

HRID 1121669 reaction equation
[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([CH2:10][S:11][CH2:12][CH2:13][NH:14][C:15](=[CH:16][N+:17](=[O:18])[O-:19])[NH:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][NH2:33])[o:9]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[o:34]1[c:35]([CH2:39][S:40][CH2:41][CH2:42][NH:43][C:44](=[CH:45][N+:46](=[O:47])[O-:48])[S:49][CH3:50])[cH:36][cH:37][cH:38]1>>[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([CH2:10][S:11][CH2:12][CH2:13][NH:14][C:15](=[CH:16][N+:17](=[O:18])[O-:19])[NH:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][NH:33][C:44]([NH:43][CH2:42][CH2:41][S:40][CH2:39][c:35]2[o:34][cH:38][cH:37][cH:36]2)=[CH:45][N+:46](=[O:47])[O-:48])[o:9]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 70545483HCID 70545483, compoundHCID 70546016HCID 70546016, compound

Product 1

HCID 86737714HCID 86737714, compound

Sources & evidence

ORD record
ord-fc0fc1cb8c9c45b991cc55ddf33d678b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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