Hydrochloric Acid → HCID 86584134, compound

HRID 1553290Notes

Reaction equation

HRID 1553290 reaction equation
[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH:1]12[CH2:2][N:3]([C:10](=[O:11])[CH2:12][N:13]3[C:14](=[O:45])[CH:15]([NH:32][C:33](=[O:34])[NH:35][c:36]4[cH:37][c:38]([C:42]([CH3:43])=[O:44])[cH:39][cH:40][cH:41]4)[N:16]=[C:17]([c:25]4[c:26]([F:31])[cH:27][cH:28][cH:29][cH:30]4)[c:18]4[c:19]3[c:20]([CH3:24])[cH:21][cH:22][cH:23]4)[CH2:4][CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2.[ClH:46].[ClH:56].[NH2:47][OH:48].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[CH:1]12[CH2:2][N:3]([C:10](=[O:11])[CH2:12][N:13]3[C:14](=[O:45])[CH:15]([NH:32][C:33](=[O:34])[NH:35][c:36]4[cH:37][c:38]([C:42]([CH3:43])=[N:47][OH:48])[cH:39][cH:40][cH:41]4)[N:16]=[C:17]([c:25]4[c:26]([F:31])[cH:27][cH:28][cH:29][cH:30]4)[c:18]4[c:19]3[c:20]([CH3:24])[cH:21][cH:22][cH:23]4)[CH2:4][CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 787HydroxylamineHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 44293998HCID 44293998, compound

Product 1

HCID 86584134HCID 86584134, compound

Sources & evidence

ORD record
ord-312dfb106b7e40329de6fde1d15c933d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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