6-Aminohexanoic Acid → HCID 57605522, compound

HRID 1558890Notes

Reaction equation

HRID 1558890 reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:56][OH:57].[Cl:58][CH2:59][Cl:60].[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7]([OH:8])=[O:9].[Na+:50].[O-:46][C:47]([OH:48])=[O:49].[O:10]=[C:11]1[CH2:12][CH2:13][C:14](=[O:15])[N:16]1[O:17][C:18]([CH:19]([CH2:20][S:21][S:22][C:23]([CH3:24])([CH3:25])[CH3:26])[NH:27][C:28](=[O:29])[O:30][CH2:31][CH:32]1[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2-[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]21)=[O:45]>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7]([OH:8])=[O:9])[C:18](=[O:17])[CH:19]([CH2:20][S:21][S:22][C:23]([CH3:24])([CH3:25])[CH3:26])[NH:27][C:28](=[O:29])[O:30][CH2:31][CH:32]1[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2-[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]21

Participants

8

Reactant 7

HCID 5646-Aminohexanoic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 59718448HCID 59718448, compound

Product 1

HCID 57605522HCID 57605522, compound

Sources & evidence

ORD record
ord-b28200343f3b47bd9268018bd585eaa6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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