Hydrochloric Acid → HCID 57678182, compound

HRID 1545840Notes

Reaction equation

HRID 1545840 reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH2:64]([N:65]=[C:66]=[N:67][CH2:68][CH2:69][CH2:70][N:71]([CH3:72])[CH3:73])[CH3:74].[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[CH3:83][CH2:84][N:85]([CH2:86][CH3:87])[CH2:88][CH3:89].[CH:32](=[O:33])[CH2:34][CH2:35][C:36](=[O:37])[OH:38].[Cl:75][CH2:76][Cl:77].[ClH:1].[ClH:2].[ClH:63].[NH2:3][CH:4]1[CH2:5][CH2:6][CH:7]([C:10](=[O:11])[NH:12][c:13]2[c:14]([C:22](=[O:23])[NH:24][c:25]3[n:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[o:15][c:16]3[c:17]2[cH:18][cH:19][cH:20][cH:21]3)[CH2:8][CH2:9]1.[Na+:52].[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[N:3]1([CH:4]2[CH2:5][CH2:6][CH:7]([C:10](=[O:11])[NH:12][c:13]3[c:14]([C:22](=[O:23])[NH:24][c:25]4[n:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]4)[o:15][c:16]4[c:17]3[cH:18][cH:19][cH:20][cH:21]4)[CH2:8][CH2:9]2)[C:32](=[O:33])[CH2:34][CH2:35][CH2:36]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid3×HCID 923Sodium ionHCID 11124-Oxobutanoic acidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 2724942TriacetoxyborohydrideHCID 230625763-[(4-aminocyclohexanecarbonyl)amino]-N-(5-chloro-2-pyridinyl)-1-benzofuran-2-carboxamide

Product 1

HCID 57678182HCID 57678182, compound

Sources & evidence

ORD record
ord-6aaa3155de4e40379a2fee0eb65dfd9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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