Hydrochloric Acid → Hydrochloric Acid

HRID 304722Notes

Reaction equation

HRID 304722 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]([CH2:14][O:15][c:16]2[c:17]([NH:23][C:24](=[O:25])[NH:26][c:27]3[n:28][cH:29][c:30]([C:33]#[N:34])[n:31][cH:32]3)[cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[O:11][CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[ClH:35].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[ClH:35].[NH:8]1[CH2:9][CH:10]([CH2:14][O:15][c:16]2[c:17]([NH:23][C:24](=[O:25])[NH:26][c:27]3[n:28][cH:29][c:30]([C:33]#[N:34])[n:31][cH:32]3)[cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[O:11][CH2:12][CH2:13]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 312751,4-DioxaneHCID 666486682-{2-[3-(5-Cyano-pyrazin-2-yl)-ureido]-4-methyl-phenoxymethyl}-morpholine-4-carboxylic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 119560131-(5-Cyanopyrazin-2-yl)-3-[5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea

Sources & evidence

ORD record
ord-2ed5818b436c483b8f8ebc1b2cd8d1d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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