Ethanol → HCID 66842123, compound

HRID 1569429Notes

Reaction equation

HRID 1569429 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([S:24][c:25]3[c:26]([N+:31](=[O:32])[O-:33])[cH:27][cH:28][cH:29][cH:30]3)[cH:13][n:14]([CH2:17][c:18]3[cH:19][n:20][cH:21][cH:22][cH:23]3)[c:15]2[cH:16]1)([CH3:5])([CH3:6])[CH3:34].[C:38]([O:39][CH2:40][CH3:41])(=[O:42])[CH3:43].[CH2:35]([OH:36])[CH3:37].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50]>>[NH2:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([S:24][c:25]3[c:26]([N+:31](=[O:32])[O-:33])[cH:27][cH:28][cH:29][cH:30]3)[cH:13][n:14]([CH2:17][c:18]3[cH:19][n:20][cH:21][cH:22][cH:23]3)[c:15]2[cH:16]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8857Ethyl AcetateHCID 8900HeptaneHCID 66842110HCID 66842110, compound

Product 1

HCID 66842123HCID 66842123, compound

Sources & evidence

ORD record
ord-84af58ff99e84f0d938bc2e7cdf05c20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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