4-(2-Propyn-1-yl)morpholine → {4-[3-Isobutoxy-5-(3-morpholin-4-yl-prop-1-ynyl)-phenylsulfanyl]-2,5-dimethyl-phenoxy}-acetic Acid Ethyl Ester

HRID 93084Notes

Reaction equation

HRID 93084 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:27])[cH:9][c:10]([S:14][c:15]2[cH:16][c:17]([Br:26])[cH:18][c:19]([O:21][CH2:22][CH:23]([CH3:24])[CH3:25])[cH:20]2)[c:11]([CH3:13])[cH:12]1)=[O:28].[CH2:29]([C:30]#[CH:31])[N:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[CH2:38]([O:39][C:40](=[O:41])[CH2:42][O:43][c:44]1[cH:45][cH:46][c:47]([S:48][c:49]2[cH:50][c:51]([C:52]#[C:53][c:54]3[cH:55][cH:56][c:57]([CH2:58][OH:59])[cH:60][cH:61]3)[cH:62][c:63]([O:64][CH2:65][CH2:66][c:67]3[cH:68][cH:69][c:70]([Cl:71])[cH:72][cH:73]3)[cH:74]2)[cH:75][c:76]1[CH3:77])[CH3:78]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:27])[cH:9][c:10]([S:14][c:15]2[cH:16][c:17]([C:31]#[C:30][CH2:29][N:32]3[CH2:33][CH2:34][O:35][CH2:36][CH2:37]3)[cH:18][c:19]([O:21][CH2:22][CH:23]([CH3:24])[CH3:25])[cH:20]2)[c:11]([CH3:13])[cH:12]1)=[O:28]

Participants

4

Reactant 3

HCID 4129414-(2-Propyn-1-yl)morpholineHCID 57791907[4-(3-Bromo-5-isobutoxy-phenylsulfanyl)-2,5-dimethyl-phenoxy]-acetic Acid Ethyl EsterHCID 67024299{4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methylphenoxy}-acetic acid ethyl ester

Product 1

HCID 67170803{4-[3-Isobutoxy-5-(3-morpholin-4-yl-prop-1-ynyl)-phenylsulfanyl]-2,5-dimethyl-phenoxy}-acetic Acid Ethyl Ester

Sources & evidence

ORD record
ord-92f949071e764397816b26e8f40ef2fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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