Hydrochloric Acid → HCID 178427048, compound

HRID 1565076Notes

Reaction equation

HRID 1565076 reaction equation
[B-:18]([F:19])([F:20])([F:21])[F:22].[CH2:68]([OH:69])[CH3:70].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:49][c:50]1[cH:51][c:52]2[c:53]([nH:54][c:55]([CH:57]([CH3:58])[NH2:59])[n:56]2)[cH:60][cH:61]1.[Cl:62].[Cl:71][CH2:72][Cl:73].[N:1]1([C:6](=[O:7])[c:8]2[c:9]([CH3:17])[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]2)[CH2:2][CH:3]=[CH:4][CH2:5]1.[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]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>>[N:1]1([C:6](=[O:7])[c:8]2[c:9]([CH3:17])[cH:10][c:11]([C:12](=[O:14])[NH:59][CH:57]([c:55]3[nH:54][c:53]4[c:52]([cH:51][c:50]([Cl:49])[cH:61][cH:60]4)[n:56]3)[CH3:58])[cH:15][cH:16]2)[CH2:2][CH:3]=[CH:4][CH2:5]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 178463384HCID 178463384, compound

Product 1

HCID 178427048HCID 178427048, compound

Sources & evidence

ORD record
ord-22eab8ca9ebe438ab1d9dc0c235ea329
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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