Acetonitrile → HCID 11673425, compound

HRID 117344Notes

Reaction equation

HRID 117344 reaction equation
[C:1]([C:2]([OH:3])=[O:4])([CH3:5])([CH3:6])[CH3:7].[C:42]([O:43][CH2:44][CH3:45])([O:46][CH2:47][CH3:48])([O:49][CH2:50][CH3:51])[CH2:52][CH3:53].[C:54]([O:55][CH3:56])([O:57][CH3:58])([O:59][CH3:60])[CH2:61][CH2:62][CH3:63].[CH3:64][C:65]#[N:66].[CH:21]([CH3:22])([CH3:23])[NH:24][n:25]1[c:26]([CH2:39][CH2:40][CH3:41])[n:27][c:28]2[c:29]([NH2:38])[n:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]3[c:37]12.[NH2:8][c:9]1[cH:10][n:11][c:12]2[c:13]([c:14]1[NH:15][NH2:16])[cH:17][cH:18][cH:19][cH:20]2>>[CH:21]([CH3:22])([CH3:23])[NH:24][n:25]1[c:26]([CH2:39][CH3:40])[n:27][c:28]2[c:29]([NH2:38])[n:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]3[c:37]12

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 6417Pivalic acidHCID 66995Ethyl orthopropionateHCID 1235121,1,1-TrimethoxybutaneHCID 10423967HCID 10423967, compoundHCID 21075795HCID 21075795, compound

Product 1

HCID 11673425HCID 11673425, compound

Sources & evidence

ORD record
ord-fcd30ca5e72842faad5a52fbb17bd16d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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