Hydrochloric Acid → HCID 66616612, compound

HRID 700932Notes

Reaction equation

HRID 700932 reaction equation
[CH3:21][CH2:22][N:23]=[C:24]=[N:25][CH2:26][CH2:27][CH2:28][N:29]([CH3:30])[CH3:31].[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[Cl:63][CH2:64][Cl:65].[ClH:32].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:18](=[O:19])[OH:20])[cH:11][c:12]([C:14](=[O:15])[O:16][CH3:17])[cH:13]2)[cH:6][cH:7]1.[F:44][c:45]1[cH:46][cH:47][c:48]([CH2:51][NH2:52])[cH:49][cH:50]1.[Na+:57].[O-:53][C:54]([OH:55])=[O:56].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:43].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:18](=[O:20])[NH:52][CH2:51][c:48]3[cH:47][cH:46][c:45]([F:44])[cH:50][cH:49]3)[cH:11][c:12]([C:14](=[O:15])[O:16][CH3:17])[cH:13]2)[cH:6][cH:7]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 673264-FluorobenzylamineHCID 757711-HydroxybenzotriazoleHCID 66616568HCID 66616568, compound

Product 1

HCID 66616612HCID 66616612, compound

Sources & evidence

ORD record
ord-a1d8bfdb449a40ed980d14ab924fdb71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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