Hydrochloric Acid → HCID 44463544, compound

HRID 208562Notes

Reaction equation

HRID 208562 reaction equation
[C:78](=[O:79])([OH:80])[O-:81].[CH2:12]([N:13]([CH:14]([CH3:15])[CH3:16])[CH:17]([CH3:18])[CH3:19])[CH3:20].[CH2:83]([Cl:84])[Cl:85].[CH3:45][N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH3:55].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[Cl:21][c:22]1[c:23]([S:29](=[O:30])(=[O:31])[N:32]2[CH:33]([CH2:38][CH2:39][CH2:40][C:41](=[O:42])[OH:43])[CH2:34][CH2:35][CH2:36][CH2:37]2)[c:24]([CH3:28])[cH:25][cH:26][cH:27]1.[ClH:44].[ClH:56].[ClH:57].[N:58]1([CH2:63][CH2:64][O:65][C:66]2([c:72]3[cH:73][n:74][cH:75][cH:76][cH:77]3)[CH2:67][CH2:68][NH:69][CH2:70][CH2:71]2)[CH2:59][CH2:60][CH2:61][CH2:62]1.[Na+:82].[OH2:1].[OH:2][n:3]1[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[n:10][n:11]1>>[Cl:21][c:22]1[c:23]([S:29](=[O:30])(=[O:31])[N:32]2[CH:33]([CH2:38][CH2:39][CH2:40][C:41](=[O:42])[N:69]3[CH2:68][CH2:67][C:66]([O:65][CH2:64][CH2:63][N:58]4[CH2:59][CH2:60][CH2:61][CH2:62]4)([c:72]4[cH:73][n:74][cH:75][cH:76][cH:77]4)[CH2:71][CH2:70]3)[CH2:34][CH2:35][CH2:36][CH2:37]2)[c:24]([CH3:28])[cH:25][cH:26][cH:27]1

Participants

12

Reactant 11

HCID 313Hydrochloric Acid3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 57904137HCID 57904137, compoundHCID 57916257HCID 57916257, compound

Product 1

HCID 44463544HCID 44463544, compound

Sources & evidence

ORD record
ord-4180d6ac606348a3b74c1b1ba2e9cadc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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