Hydrochloric Acid → HCID 178491673, compound

HRID 1236543Notes

Reaction equation

HRID 1236543 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:9]2[CH2:10][CH:11]([C:27](=[O:28])[OH:29])[N:12]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]3)[CH2:13]2)[cH:30][cH:31]1.[CH3:48][C:49]#[N:50].[CH3:51][OH:52].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[ClH:32].[ClH:33].[NH2:34][CH:35]1[CH2:36][NH:37][CH2:38]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:9]2[CH2:10][CH:11]([C:27](=[O:28])[N:37]3[CH2:36][CH:35]([NH2:34])[CH2:38]3)[N:12]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]3)[CH2:13]2)[cH:30][cH:31]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 1516506Azetidin-3-amineHCID 186998144-[(4-Methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid

Product 1

HCID 178491673HCID 178491673, compound

Sources & evidence

ORD record
ord-6d8e6217f6474c8aa70526bdb22982e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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