Hydrochloric Acid → HCID 68467368, compound

HRID 1551084Notes

Reaction equation

HRID 1551084 reaction equation
[Br:39][CH2:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46].[CH3:2][CH:3]([CH3:4])[O:5][c:6]1[c:7]([C:8]#[N:9])[cH:10][c:11](-[c:14]2[n:15][c:16](-[c:19]3[cH:20][cH:21][c:22]4[c:23]([cH:29]3)[CH2:24][NH:25][CH2:26][CH2:27][O:28]4)[n:17][o:18]2)[cH:12][cH:13]1.[CH3:47][C:48]#[N:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[ClH:1]>>[CH3:2][CH:3]([CH3:4])[O:5][c:6]1[c:7]([C:8]#[N:9])[cH:10][c:11](-[c:14]2[n:15][c:16](-[c:19]3[cH:20][cH:21][c:22]4[c:23]([cH:29]3)[CH2:24][N:25]([CH2:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH2:26][CH2:27][O:28]4)[n:17][o:18]2)[cH:12][cH:13]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 68320Ethyl 3-bromopropionateHCID 81531DiisopropylethylamineHCID 44129140HCID 44129140, compound

Product 1

HCID 68467368HCID 68467368, compound

Sources & evidence

ORD record
ord-0016a1887efb46328bb8a2390fad3d22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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