Hydrochloric Acid → HCID 67112881, compound

HRID 151727Notes

Reaction equation

HRID 151727 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][c:5]([N+:27](=[O:28])[O-:29])[c:6](-[c:9]2[s:10][c:11]3[n:12][c:13]([C:18]4([c:21]5[cH:22][cH:23][cH:24][cH:25][cH:26]5)[CH2:19][CH2:20]4)[cH:14][cH:15][c:16]3[n:17]2)[cH:7][cH:8]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[ClH:30].[NH:31]1[CH2:32][CH:33]([C:35](=[O:36])[O:37][CH3:38])[CH2:34]1.[Na+:52].[O-:48][C:49]([OH:50])=[O:51].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[CH2:2]([c:3]1[cH:4][c:5]([N+:27](=[O:28])[O-:29])[c:6](-[c:9]2[s:10][c:11]3[n:12][c:13]([C:18]4([c:21]5[cH:22][cH:23][cH:24][cH:25][cH:26]5)[CH2:19][CH2:20]4)[cH:14][cH:15][c:16]3[n:17]2)[cH:7][cH:8]1)[N:31]1[CH2:32][CH:33]([C:35](=[O:36])[O:37][CH3:38])[CH2:34]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 20132751Methyl azetidine-3-carboxylateHCID 67111843HCID 67111843, compound

Product 1

HCID 67112881HCID 67112881, compound

Sources & evidence

ORD record
ord-5637a32f23db45239e5576bcc0a2c564
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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