Hydrochloric Acid → HCID 67999877, compound

HRID 145822Notes

Reaction equation

HRID 145822 reaction equation
[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][CH:10]([CH2:26][C:27](=[O:28])[OH:29])[C:11](=[O:25])[N:12]([CH2:21][CH:22]3[CH2:23][CH2:24]3)[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1.[ClH:30].[ClH:38].[NH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37].[Na+:60].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70].[OH:61][C:62](=[O:63])[O-:64].[n:50]1[c:51]2[c:52]([n:53][cH:54][cH:55][cH:56]2)[n:57]([OH:58])[n:59]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][CH:10]([CH2:26][C:27](=[O:28])[NH:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[C:11](=[O:25])[N:12]([CH2:21][CH:22]3[CH2:23][CH2:24]3)[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 12176Glycine ethyl esterHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 67999009HCID 67999009, compound

Product 1

HCID 67999877HCID 67999877, compound

Sources & evidence

ORD record
ord-f2c76482f8c64342bbfc40f8d3226ded
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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