Hydrochloric Acid → HCID 178523220, compound

HRID 1240096Notes

Reaction equation

HRID 1240096 reaction equation
[CH3:52][CH2:53][N:54]=[C:55]=[N:56][CH2:57][CH2:58][CH2:59][N:60]([CH3:61])[CH3:62].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][c:9]([C:11](=[O:12])[OH:13])[cH:10]2.[ClH:14].[NH2:15][CH:16]([C:17](=[O:18])[N:19]1[CH2:20][CH:21]([OH:24])[CH2:22][CH2:23]1)[CH2:25][c:26]1[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][c:9]([C:11](=[O:13])[NH:15][CH:16]([C:17](=[O:18])[N:19]1[CH2:20][CH:21]([OH:24])[CH2:22][CH2:23]1)[CH2:25][c:26]1[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]1)[cH:10]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 446307055-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acidHCID 672789002-Amino-3-(4-fluorophenyl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one

Product 1

HCID 178523220HCID 178523220, compound

Sources & evidence

ORD record
ord-a5c83f4725094e979c1bfa401e8c13bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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