Acetonitrile → HCID 178496956, compound

HRID 1139496Notes

Reaction equation

HRID 1139496 reaction equation
[CH3:48][C:49]#[N:50].[CH:1]1([CH:6]2[NH:7][C:8](=[O:39])[O:9][CH:10]3[CH2:11][CH2:12][CH2:13][CH:14]3[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][n:20]3[c:21](=[O:38])[cH:22][cH:23][cH:24][c:25]3[O:26][CH:27]3[CH2:28][CH:29]([C:34](=[O:35])[O:36][CH3:37])[N:30]([C:31]2=[O:32])[CH2:33]3)[CH2:2][CH2:3][CH2:4][CH2:5]1.[O:40]=[C:41]1[N:42]([Br:47])[C:43](=[O:44])[CH2:45][CH2:46]1>>[CH:1]1([CH:6]2[NH:7][C:8](=[O:39])[O:9][CH:10]3[CH2:11][CH2:12][CH2:13][CH:14]3[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][n:20]3[c:21](=[O:38])[c:22]([Br:47])[cH:23][cH:24][c:25]3[O:26][CH:27]3[CH2:28][CH:29]([C:34](=[O:35])[O:36][CH3:37])[N:30]([C:31]2=[O:32])[CH2:33]3)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 67184N-bromobutanimideHCID 178496957HCID 178496957, compound

Product 1

HCID 178496956HCID 178496956, compound

Sources & evidence

ORD record
ord-f16010c277b14551bddc349c89ebe958
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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