2-Chloro-4-hydroxybenzaldehyde → HCID 67072353, compound

HRID 166077Notes

Reaction equation

HRID 166077 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][c:11]([Cl:17])[c:12]([CH2:15][NH2:16])[cH:13][cH:14]1)=[O:18].[CH2:29]([CH2:30][C:31]([Br:32])([CH3:33])[C:34]([O-:35])=[O:36])[CH3:37].[CH:38]1([c:41]2[n:42][c:43](-[c:50]3[cH:51][cH:52][c:53]([C:56]([F:57])([F:58])[F:59])[cH:54][cH:55]3)[n:44][cH:45][c:46]2[C:47](=[O:48])[OH:49])[CH2:39][CH2:40]1.[Cl:19][c:20]1[cH:21][c:22]([OH:23])[cH:24][cH:25][c:26]1[CH:27]=[O:28]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][c:11]([Cl:17])[c:12]([CH2:15][NH:16][C:47]([c:46]2[c:41]([CH:38]3[CH2:39][CH2:40]3)[n:42][c:43](-[c:50]3[cH:51][cH:52][c:53]([C:56]([F:57])([F:58])[F:59])[cH:54][cH:55]3)[n:44][cH:45]2)=[O:48])[cH:13][cH:14]1)=[O:18]

Participants

5

Reactant 4

HCID 1853632-Chloro-4-hydroxybenzaldehydeHCID 21935727HCID 21935727, compoundHCID 22490247Ethyl-bromoisobutyrateHCID 670725432-(4-Aminomethyl-3-chloro-phenoxy)-2-methyl-propionic acid ethyl ester

Product 1

HCID 67072353HCID 67072353, compound

Sources & evidence

ORD record
ord-25fc389bbe3342aa9bc49ed3ea9e0fc3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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