Hydrochloric Acid → HCID 69635613, compound

HRID 290039

Reaction equation

HRID 290039 reaction equation
[CH3:35][O:36][C:37](=[O:38])[CH:39]1[CH2:40][CH2:41][CH:42]([CH2:45][NH2:46])[CH2:43][CH2:44]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][C:11](=[CH:13][S:14](=[O:15])(=[O:16])[CH2:17][c:18]3[cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25][cH:26]3)[CH2:12]2)[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[cH:6][cH:7]1.[ClH:34]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][C:11](=[CH:13][S:14](=[O:15])(=[O:16])[CH2:17][c:18]3[cH:19][c:20]([C:21](=[O:22])[NH:46][CH2:45][CH:42]4[CH2:41][CH2:40][CH:39]([C:37]([O:36][CH3:35])=[O:38])[CH2:44][CH2:43]4)[cH:24][cH:25][cH:26]3)[CH2:12]2)[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 12721444(1R,4R)-Methyl 4-(aminomethyl)cyclohexanecarboxylateHCID 696356783-({1-[Bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)benzoic acid

Product 1

HCID 69635613HCID 69635613, compound

Sources & evidence

ORD record
ord-baa060038dda452289306ed255f585ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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