Acetonitrile → HCID 178495276, compound

HRID 1224896Notes

Reaction equation

HRID 1224896 reaction equation
[CH2:41]1[O:42][CH:43]1[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:56][C:57]#[N:58].[Cl+3:50]([O-:51])([O-:52])([O-:53])[O-:54].[Li+:55].[NH2:1][CH:2]1[CH2:3][N:4]([C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:5][CH:6]([N:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[C:13](=[O:14])[c:15]2[c:16]([NH:25][CH2:26][CH2:27][CH2:28][O:29][CH3:30])[n:17][c:18]([C:21]([CH3:22])([CH3:23])[CH3:24])[n:19][cH:20]2)[CH2:7]1>>[NH:1]([CH:2]1[CH2:3][N:4]([C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:5][CH:6]([N:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[C:13](=[O:14])[c:15]2[c:16]([NH:25][CH2:26][CH2:27][CH2:28][O:29][CH3:30])[n:17][c:18]([C:21]([CH3:22])([CH3:23])[CH3:24])[n:19][cH:20]2)[CH2:7]1)[CH2:41][CH:43]([OH:42])[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 7276Styrene OxideHCID 28486Lithium ionHCID 123351PerchlorateHCID 178495277HCID 178495277, compound

Product 1

HCID 178495276HCID 178495276, compound

Sources & evidence

ORD record
ord-6905168b409340cc8a982e24e70147c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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