Hydrochloric Acid → Hydrochloric Acid

HRID 2127190Notes

Reaction equation

HRID 2127190 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[n:9][n:10]([CH2:30][C:31]([NH:32][CH:33]2[CH:34]([O:39][CH2:40][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH2:35][CH2:36][CH2:37][CH2:38]2)=[O:47])[c:11]([C:13]([NH:14][CH:15]2[CH:16]([O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:17][CH2:18][CH2:19][CH2:20]2)=[O:29])[cH:12]1)([CH3:5])([CH3:6])[CH3:48].[Cl:56][CH2:57][Cl:58].[ClH:55].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[ClH:55].[NH2:7][c:8]1[n:9][n:10]([CH2:30][C:31]([NH:32][CH:33]2[CH:34]([O:39][CH2:40][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH2:35][CH2:36][CH2:37][CH2:38]2)=[O:47])[c:11]([C:13]([NH:14][CH:15]2[CH:16]([O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:17][CH2:18][CH2:19][CH2:20]2)=[O:29])[cH:12]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 68870936{5-(2-Benzyloxy-cyclohexylcarbamoyl)-1-[(2-benzyloxy-cyclohexylcarbamoyl)-methyl]-1H-pyrazol-3-yl}-carbamic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 732337715-Amino-2-[(2-benzyloxy-cyclohexylcarbamoyl)-methyl]-2H-pyrazole-3-carboxylic acid (2-benzyloxy-cyclohexyl)-amide

Sources & evidence

ORD record
ord-a0d291384d0946c0a4babf94e909b74f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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