Acetonitrile → HCID 178429855, compound

HRID 303957Notes

Reaction equation

HRID 303957 reaction equation
[CH3:2][n+:3]1[cH:4][cH:5][n:6]([C:8]([N:9]=[c:10]2[s:11][c:12]([CH3:29])[cH:13][n:14]2-[c:15]2[cH:16][c:17]3[c:18]([cH:27][cH:28]2)[O:19][C:20]([F:25])([F:26])[C:21]([F:23])([F:24])[O:22]3)=[O:30])[cH:7]1.[CH3:46][C:47]#[N:48].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:49][CH2:50][Cl:51].[I-:1].[NH:31]1[CH2:32][CH:33]([OH:36])[CH2:34][CH2:35]1>>[C:8]([N:9]=[c:10]1[s:11][c:12]([CH3:29])[cH:13][n:14]1-[c:15]1[cH:16][c:17]2[c:18]([cH:27][cH:28]1)[O:19][C:20]([F:25])([F:26])[C:21]([F:23])([F:24])[O:22]2)(=[O:30])[N:31]1[CH2:32][CH:33]([OH:36])[CH2:34][CH2:35]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 982104-HydroxypyrrolidineHCID 86619171HCID 86619171, compound

Product 1

HCID 178429855HCID 178429855, compound

Sources & evidence

ORD record
ord-23d32c4cb3684ec6aea4b8ee923e2519
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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