Hydrochloric Acid → HCID 178459180, compound

HRID 664265Notes

Reaction equation

HRID 664265 reaction equation
[B-:18]([F:19])([F:20])([F:21])[F:22].[CH2:49]([CH:50]=[CH2:51])[O:52][CH2:53][CH:54]([c:55]1[n:56][c:57]2[c:58]([nH:59]1)[cH:60][cH:61][c:62]([Cl:64])[cH:63]2)[NH2:65].[CH2:72]([OH:73])[CH3:74].[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH:15]=[CH:16][CH2:17]1.[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:66].[Cl:75][CH2:76][Cl:77].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:65][CH:54]([CH2:53][O:52][CH2:49][CH:50]=[CH2:51])[c:55]2[n:56][c:57]3[c:58]([nH:59]2)[cH:60][cH:61][c:62]([Cl:64])[cH:63]3)[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH:15]=[CH:16][CH2:17]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 118586383-Methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)benzoic acidHCID 178459175HCID 178459175, compound

Product 1

HCID 178459180HCID 178459180, compound

Sources & evidence

ORD record
ord-95de29f743b0465ba6c371a186b2870c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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