Hydrochloric Acid → HCID 178427113, compound

HRID 1568614Notes

Reaction equation

HRID 1568614 reaction equation
[B-:18]([F:19])([F:20])([F:21])[F:22].[CH2:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[O:56][CH2:57][CH:58]([c:59]1[n:60][c:61]2[c:62]([nH:63]1)[cH:64][cH:65][c:66]([Cl:68])[cH:67]2)[NH2:69].[CH2:76]([OH:77])[CH3:78].[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][CH2:15][CH2:16][CH2:17]1.[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:70].[Cl:79][CH2:80][Cl:81].[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]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:69][CH:58]([CH2:57][O:56][CH2:49][c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:59]2[n:60][c:61]3[c:62]([nH:63]2)[cH:64][cH:65][c:66]([Cl:68])[cH:67]3)[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 120686863-Methyl 4-(pyrrolidin-1-ylcarbonyl)benzoic acidHCID 1785113981-(6-chloro-1H-benzimidazol-2-yl)-2-phenylmethoxyethanamine

Product 1

HCID 178427113HCID 178427113, compound

Sources & evidence

ORD record
ord-71471ddd4ce343adac8da4401cca58a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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