Ethanol → HCID 178473267, compound

HRID 1553211Notes

Reaction equation

HRID 1553211 reaction equation
[C:48](=[O:49])([OH:50])[O-:51].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:46][CH3:47])[CH2:8][CH:9]([NH:18][c:19]2[n:20][cH:21][c:22]([N:40]3[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]3)[c:23]([CH2:25][c:26]3[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]3)[n:24]2)[c:10]2[n:11][c:12]([O:16][CH3:17])[cH:13][cH:14][c:15]21.[CH3:56][CH2:57][OH:58].[N:53]#[C:54][Br:55].[Na+:52]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:46][CH3:47])[CH2:8][CH:9]([NH:18][c:19]2[n:20][cH:21][c:22]([N:40]3[CH2:41][CH2:42][N:43]([C:54]#[N:53])[CH2:44][CH2:45]3)[c:23]([CH2:25][c:26]3[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]3)[n:24]2)[c:10]2[n:11][c:12]([O:16][CH3:17])[cH:13][cH:14][c:15]21

Participants

6

Reactant 5

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 10476Cyanogen BromideHCID 178473266HCID 178473266, compound

Product 1

HCID 178473267HCID 178473267, compound

Sources & evidence

ORD record
ord-14380baa96bb4488bec2b2c31e03d255
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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