Ethanol → HCID 67994956, compound

HRID 156191Notes

Reaction equation

HRID 156191 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([CH2:40][O:41][CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[O:11][CH:12]([c:31]2[cH:32][c:33]([CH2:38][Br:39])[c:34]([Cl:37])[cH:35][cH:36]2)[CH:13]([O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][CH2:59][OH:60].[K:49][C:50]#[N:51].[OH2:61]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([CH2:40][O:41][CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[O:11][CH:12]([c:31]2[cH:32][c:33]([CH2:38][C:50]#[N:51])[c:34]([Cl:37])[cH:35][cH:36]2)[CH:13]([O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 8857Ethyl AcetateHCID 77260054HCID 77260054, compoundHCID 178511842HCID 178511842, compound

Product 1

HCID 67994956HCID 67994956, compound

Sources & evidence

ORD record
ord-63dc4cb869b74a80b142eab2307d823c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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