Hydrochloric Acid → HCID 24772730, compound

HRID 2133784Notes

Reaction equation

HRID 2133784 reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][n:6][n:7]2[c:8]1[n:9][cH:10][c:11](-[c:20]1[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]1)[c:12]2-[c:13]1[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]1.[C:28](#[N:29])[C:30]1([NH2:36])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[CH3:49][N:50]([CH3:51])[CH2:52][CH2:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH3:59].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[CH:65]([Cl:66])([Cl:67])[Cl:68].[ClH:27].[ClH:48].[Na+:60].[OH2:37].[OH2:81].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1.[OH:61][C:62](=[O:63])[O-:64]>>[C:1](=[O:2])([c:4]1[cH:5][n:6][n:7]2[c:8]1[n:9][cH:10][c:11](-[c:20]1[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]1)[c:12]2-[c:13]1[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]1)[NH:36][C:30]1([C:28]#[N:29])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1

Participants

12

Reactant 11

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962Water2×HCID 6212ChloroformHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 796351-AminocyclohexanecarbonitrileHCID 67272265HCID 67272265, compound

Product 1

HCID 24772730HCID 24772730, compound

Sources & evidence

ORD record
ord-2dc183798d0540d6958bf1f5925c0cef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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