Acetonitrile → HCID 178471082, compound

HRID 1144042Notes

Reaction equation

HRID 1144042 reaction equation
[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[n:9][cH:10][n:11]([CH:16]4[CH2:17][CH:18]([CH2:26][NH:27][CH:28]5[CH2:29][CH:30]([CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH2:31]5)[CH:19]5[CH:20]4[O:21][C:22]([CH3:24])([CH3:25])[O:23]5)[c:12]3[n:13][cH:14][n:15]2)[cH:39][cH:40][c:41]([O:43][CH3:44])[cH:42]1.[CH3:45][C:46]#[N:47].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH:48]([CH3:49])([CH3:50])[I:51]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[n:9][cH:10][n:11]([CH:16]4[CH2:17][CH:18]([CH2:26][N:27]([CH:28]5[CH2:29][CH:30]([CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH2:31]5)[CH:48]([CH3:49])[CH3:50])[CH:19]5[CH:20]4[O:21][C:22]([CH3:24])([CH3:25])[O:23]5)[c:12]3[n:13][cH:14][n:15]2)[cH:39][cH:40][c:41]([O:43][CH3:44])[cH:42]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 6362Isopropyl iodideHCID 8471TriethylamineHCID 178471081HCID 178471081, compound

Product 1

HCID 178471082HCID 178471082, compound

Sources & evidence

ORD record
ord-6d7bafc76b76423cb255004f9a2dd8d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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