Hydrochloric Acid → HCID 178464739, compound

HRID 163759Notes

Reaction equation

HRID 163759 reaction equation
[C:59](=[O:60])([O-:61])[OH:62].[CH2:28]([CH3:29])[NH2:30].[CH2:38]([N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[CH3:48].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH3:69][OH:70].[ClH:27].[Na+:63].[OH:1][CH:2]([CH:3]([CH3:4])[NH:5][CH2:6][CH2:7][c:8]1[cH:9][nH:10][c:11]2[c:12]([C:17](=[O:18])[OH:19])[cH:13][cH:14][cH:15][c:16]12)[c:20]1[cH:21][cH:22][c:23]([OH:26])[cH:24][cH:25]1.[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[OH:1][CH:2]([CH:3]([CH3:4])[NH:5][CH2:6][CH2:7][c:8]1[cH:9][nH:10][c:11]2[c:12]([C:17](=[O:19])[NH:30][CH2:28][CH3:29])[cH:13][cH:14][cH:15][c:16]12)[c:20]1[cH:21][cH:22][c:23]([OH:26])[cH:24][cH:25]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 6341EthylamineHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 178463862HCID 178463862, compound

Product 1

HCID 178464739HCID 178464739, compound

Sources & evidence

ORD record
ord-9e88008dd13444daacc7dedcfd64adcb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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