Ethyl Acetate → HCID 20774344, compound

HRID 1550003Notes

Reaction equation

HRID 1550003 reaction equation
[C:1]([O:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][CH:10]([CH:11]([CH2:12][N:13]([CH2:14][CH:15]([CH3:16])[CH3:17])[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][c:23]3[c:24]([cH:28][cH:29]2)[O:25][CH2:26][O:27]3)[OH:30])[NH:31][C:32](=[O:33])[O:34][CH:35]2[CH2:36][O:37][CH:38]3[O:39][CH2:40][CH2:41][CH:42]23)[cH:7][cH:8]1)([O:43][c:45]1[cH:46][cH:47][c:48]([N+:49]([O-:50])=[O:51])[cH:52][cH:53]1)=[O:44].[CH2:62]1[O:63][CH2:64][CH2:65][O:66][CH2:67]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[n:54]1([CH2:59][CH2:60][NH2:61])[cH:55][n:56][cH:57][cH:58]1>>[C:1]([O:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][CH:10]([CH:11]([CH2:12][N:13]([CH2:14][CH:15]([CH3:16])[CH3:17])[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][c:23]3[c:24]([cH:28][cH:29]2)[O:25][CH2:26][O:27]3)[OH:30])[NH:31][C:32](=[O:33])[O:34][CH:35]2[CH2:36][O:37][CH:38]3[O:39][CH2:40][CH2:41][CH:42]23)[cH:7][cH:8]1)(=[O:43])[NH:61][CH2:60][CH2:59][n:54]1[cH:55][n:56][cH:57][cH:58]1

Participants

5

Reactant 4

HCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 4306672-(1H-imidazol-1-yl)ethanamineHCID 22499953HCID 22499953, compound

Product 1

HCID 20774344HCID 20774344, compound

Sources & evidence

ORD record
ord-2da3b45bf7a64faeab5e3ff5ee2046f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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