Hydrochloric Acid → HCID 178490467, compound

HRID 173204

Reaction equation

HRID 173204 reaction equation
[C:45](=[O:46])([O:47][CH2:48][CH:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2-[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]21)[NH:62][CH:63]([CH:64]([CH3:65])[CH3:66])[C:67](=[O:68])[OH:69].[CH3:34][N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH3:44].[CH3:71][N:72]([CH3:73])[c:74]1[cH:75][cH:76][n:77][cH:78][cH:79]1.[Cl:80][CH2:81][Cl:82].[ClH:33].[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[OH2:70].[OH:1][CH2:2][CH2:3][c:4]1[c:5]([NH:12][c:13]2[c:14]([NH:23][S:24](=[O:25])(=[O:26])[c:27]3[n:28][cH:29][n:30]([CH3:32])[cH:31]3)[n:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[n:22]2)[cH:6][c:7]([O:10][CH3:11])[cH:8][cH:9]1>>[O:1]([CH2:2][CH2:3][c:4]1[c:5]([NH:12][c:13]2[c:14]([NH:23][S:24](=[O:25])(=[O:26])[c:27]3[n:28][cH:29][n:30]([CH3:32])[cH:31]3)[n:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[n:22]2)[cH:6][c:7]([O:10][CH3:11])[cH:8][cH:9]1)[C:67]([CH:63]([NH:62][C:45](=[O:46])[O:47][CH2:48][CH:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2-[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]21)[CH:64]([CH3:65])[CH3:66])=[O:68]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 100115N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-valineHCID 24992804N-(3-{[2-(2-hydroxyethyl)-5-methoxyphenyl]amino}quinoxalin-2-yl)-1-methyl-1H-imidazole-4-sulfonamide

Product 1

HCID 178490467HCID 178490467, compound

Sources & evidence

ORD record
ord-947389f28f6e4cc0b2a002be03332e24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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