Acetate → HCID 67151672, compound

HRID 2134638Notes

Reaction equation

HRID 2134638 reaction equation
[CH3:38][C:39](=[O:40])[O-:41].[CH3:46][OH:47].[N:42]#[C:43][Br:44].[NH2:14][CH:15]([CH2:16][CH2:17][c:18]1[cH:19][cH:20][c:21]([N:24]([C:25]([c:26]2[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]2)=[O:33])[CH3:34])[cH:22][cH:23]1)[CH2:35][OH:36].[NH2:1][CH:2]([CH2:3][OH:4])[CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([NH-:11])[cH:12][cH:13]1.[NH3:45].[Na+:37]>>[NH2:1][C:2]1=[N:14][CH:15]([CH2:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([N:24]([C:25]([c:26]3[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]3)=[O:33])[CH3:34])[cH:22][cH:23]2)[CH2:35][O:36]1

Participants

8

Reactant 7

HCID 175AcetateHCID 222AmmoniaHCID 887MethanolHCID 923Sodium ionHCID 10476Cyanogen BromideHCID 67151520HCID 67151520, compoundHCID 178514213HCID 178514213, compound

Product 1

HCID 67151672HCID 67151672, compound

Sources & evidence

ORD record
ord-9bf798f50e1343edb517a142fb56593f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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