Ethyl isocyanate → HCID 66725167, compound

HRID 1122891Notes

Reaction equation

HRID 1122891 reaction equation
[CH2:37]([CH3:38])[N:39]=[C:40]=[O:41].[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][C:11](=[O:12])[c:13]2[c:14](=[O:34])[n:15](-[c:24]3[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]3)[c:16]([CH3:23])[c:17]([C:19](=[O:20])[NH:21][NH2:22])[cH:18]2)[cH:35][cH:36]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][C:11](=[O:12])[c:13]2[c:14](=[O:34])[n:15](-[c:24]3[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]3)[c:16]([CH3:23])[c:17]([C:19](=[O:20])[NH:21][NH:22][C:40]([NH:39][CH2:37][CH3:38])=[O:41])[cH:18]2)[cH:35][cH:36]1

Participants

4

Reactant 3

HCID 8022Ethyl isocyanateHCID 312751,4-DioxaneHCID 66725214HCID 66725214, compound

Product 1

HCID 66725167HCID 66725167, compound

Sources & evidence

ORD record
ord-51037c4de78849e8a6af3c129a40f1ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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