Acetonitrile → HCID 53850075, compound

HRID 677038Notes

Reaction equation

HRID 677038 reaction equation
[CH2:34]1[CH2:35][O:36][CH2:37][CH2:38][NH:39]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:40][C:41]#[N:42].[Cl:28][C:29]([O:30][CH2:31][CH3:32])=[O:33].[OH:1][CH:2]1[CH2:3][CH:4]([C:18](=[O:19])[OH:20])[N:5]([C:7]([c:8]2[cH:9][c:10]3[c:11]([cH:12][cH:13]2)[O:14][CH2:15][O:16]3)=[O:17])[CH2:6]1>>[OH:1][CH:2]1[CH2:3][CH:4]([C:18](=[O:20])[N:39]2[CH2:34][CH2:35][O:36][CH2:37][CH2:38]2)[N:5]([C:7]([c:8]2[cH:9][c:10]3[c:11]([cH:12][cH:13]2)[O:14][CH2:15][O:16]3)=[O:17])[CH2:6]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8083MorpholineHCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 16771157HCID 16771157, compound

Product 1

HCID 53850075HCID 53850075, compound

Sources & evidence

ORD record
ord-6b3ac575e1b04a71ad4922eff0a3a8fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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