Hydrochloric Acid → HCID 67265603, compound

HRID 150936Notes

Reaction equation

HRID 150936 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH2:13][N:14]([c:16]1[cH:17][n:18][cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24]1)[CH2:15]2.[CH3:48][N:49]([CH3:50])[CH2:51][CH2:52][CH2:53][N:54]=[C:55]=[N:56][CH2:57][CH3:58].[CH3:59][N:60]([CH3:61])[c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1.[ClH:47].[F:25][C:26]([c:27]1[c:28]([CH2:29][NH2:30])[cH:31][cH:32][cH:33][cH:34]1)([F:35])[F:36].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1.[cH:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH2:13][N:14]([c:16]1[cH:17][n:18][cH:19][c:20]([C:21](=[O:22])[NH:30][CH2:29][c:28]3[c:27]([C:26]([F:25])([F:35])[F:36])[cH:34][cH:33][cH:32][cH:31]3)[cH:24]1)[CH2:15]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 764472-(Trifluoromethyl)benzylamineHCID 671819795-[5-[(2-Methylpropan-2-yl)oxycarbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxylic acid

Product 1

HCID 67265603HCID 67265603, compound

Sources & evidence

ORD record
ord-eec53a6819e24ccf9a784a28188a9cb5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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