Hydrochloric Acid → HCID 67040170, compound

HRID 2324693Notes

Reaction equation

HRID 2324693 reaction equation
[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[ClH:38].[NH2:39][c:40]1[cH:41][c:42]([CH3:45])[n:43][s:44]1.[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16]([NH:17][c:18]1[cH:19][cH:20][c:21]([S:24][c:25]3[c:26]([N+:34](=[O:35])[O-:36])[cH:27][c:28]([C:31](=[O:32])[Cl:33])[cH:29][cH:30]3)[cH:22][cH:23]1)=[O:37])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16]([NH:17][c:18]1[cH:19][cH:20][c:21]([S:24][c:25]3[c:26]([N+:34](=[O:35])[O-:36])[cH:27][c:28]([C:31](=[O:32])[NH:39][c:40]4[cH:41][c:42]([CH3:45])[n:43][s:44]4)[cH:29][cH:30]3)[cH:22][cH:23]1)=[O:37])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 323073-Methylisothiazol-5-amineHCID 81531DiisopropylethylamineHCID 86615543HCID 86615543, compound

Product 1

HCID 67040170HCID 67040170, compound

Sources & evidence

ORD record
ord-2b4fcc3521e04fc4acc867ddd4e6161a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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