Hydrochloric Acid → HCID 23150740, compound

HRID 186990Notes

Reaction equation

HRID 186990 reaction equation
[C:1](=[O:2])([OH:3])[C:4]12[CH2:5][CH2:6][C:7]([NH:12][CH2:13][C:14](=[O:15])[N:16]3[CH:17]([C:22]#[N:23])[CH2:18][CH:19]([F:21])[CH2:20]3)([CH2:8][CH2:9]1)[CH2:10][CH2:11]2.[CH3:35][N:36]([CH3:37])[CH2:38][CH2:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH3:45].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[Cl:52][CH2:53][Cl:54].[ClH:34].[ClH:46].[F:47][CH2:48][CH:49]([CH3:50])[NH2:51].[OH2:55].[OH:24][n:25]1[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[C:1](=[O:2])([C:4]12[CH2:5][CH2:6][C:7]([NH:12][CH2:13][C:14](=[O:15])[N:16]3[CH:17]([C:22]#[N:23])[CH2:18][CH:19]([F:21])[CH2:20]3)([CH2:8][CH2:9]1)[CH2:10][CH2:11]2)[NH:51][CH:49]([CH2:48][F:47])[CH3:50]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 12617062HCID 12617062, compoundHCID 231496734-[[2-(2-Cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid

Product 1

HCID 23150740HCID 23150740, compound

Sources & evidence

ORD record
ord-4becac043fe042d1a6641dd32c579fb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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