Ethanol → HCID 77260178, compound

HRID 693618Notes

Reaction equation

HRID 693618 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]([CH2:43][O:44][CH2:45][c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[O:11][CH:12]([c:31]2[cH:32][c:33]([CH2:41][Br:42])[cH:34][c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]23)[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.[CH3:55][CH2:56][OH:57].[K:52][C:53]#[N:54].[OH2:58]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([CH2:43][O:44][CH2:45][c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[O:11][CH:12]([c:31]2[cH:32][c:33]([CH2:41][C:53]#[N:54])[cH:34][c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]23)[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

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 178419504HCID 178419504, compoundHCID 178511842HCID 178511842, compound

Product 1

HCID 77260178HCID 77260178, compound

Sources & evidence

ORD record
ord-13e47d9d2b614f32b7d422b75ba4fe13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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