Hydrochloric Acid → HCID 67334452, compound

HRID 158823Notes

Reaction equation

HRID 158823 reaction equation
[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[CH3:54][CH2:55][O:56][CH2:57][CH3:58].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[ClH:43].[K+:42].[Na+:48].[O-:44][C:45]([OH:46])=[O:47].[O:1]1[CH2:2][CH2:3][N:4]([CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][O:14][c:15]3[c:16]4[c:20]([cH:21][cH:22][cH:23]3)[C:19](=[O:24])[N:18]([CH:25]([CH2:26][CH2:27][C:28]([O:30][CH3:29])=[O:31])[C:32](=[O:33])[NH2:34])[CH2:17]4)[cH:35][cH:36]2)[CH2:5][CH2:6][CH2:7]1.[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][O:14][c:15]3[c:16]4[c:20]([cH:21][cH:22][cH:23]3)[C:19](=[O:24])[N:18]([CH:25]3[CH2:26][CH2:27][C:28](=[O:30])[NH:34][C:32]3=[O:33])[CH2:17]4)[cH:35][cH:36]2)[CH2:5][CH2:6][CH2:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 45749132-Methylpropan-2-olateHCID 67334376HCID 67334376, compound

Product 1

HCID 67334452HCID 67334452, compound

Sources & evidence

ORD record
ord-c4835c3ea9d7483097e428b1e2380eac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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