Acetonitrile → HCID 58346405, compound

HRID 2147462Notes

Reaction equation

HRID 2147462 reaction equation
[CH2:41]1[CH2:42][O:43][CH2:44][CH2:45][NH:46]1.[CH3:1][S:2]([O:3][CH2:6][CH2:7][n:8]1[n:9][cH:10][c:11]2[c:16]1[CH2:15][CH2:14][c:13]1[c:12]-2[s:19][c:18]2[c:17]1[c:23]([NH:24][c:25]1[cH:26][c:27]([Cl:40])[c:28]([O:31][CH2:32][c:33]3[cH:34][c:35]([F:39])[cH:36][cH:37][cH:38]3)[cH:29][cH:30]1)[n:22][cH:21][n:20]2)(=[O:4])=[O:5].[CH3:56][C:57]#[N:58].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55]>>[CH2:6]([CH2:7][n:8]1[n:9][cH:10][c:11]2[c:16]1[CH2:15][CH2:14][c:13]1[c:12]-2[s:19][c:18]2[c:17]1[c:23]([NH:24][c:25]1[cH:26][c:27]([Cl:40])[c:28]([O:31][CH2:32][c:33]3[cH:34][c:35]([F:39])[cH:36][cH:37][cH:38]3)[cH:29][cH:30]1)[n:22][cH:21][n:20]2)[N:46]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8083MorpholineHCID 81531DiisopropylethylamineHCID 58346415HCID 58346415, compound

Product 1

HCID 58346405HCID 58346405, compound

Sources & evidence

ORD record
ord-d2042f7171e64a048b41ba835ced5fe2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…