Hydrochloric Acid → HCID 74928688, compound

HRID 2323943Notes

Reaction equation

HRID 2323943 reaction equation
[C:40]([n:41]1[cH:42][cH:43][n:44][cH:45]1)([n:46]1[cH:47][cH:48][n:49][cH:50]1)=[O:51].[CH3:52][S:53](=[O:54])(=[O:55])[NH2:56].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]21[CH:12]([c:32]2[c:33]([CH3:39])[cH:34][cH:35][c:36]([Cl:38])[cH:37]2)[NH:13][C:14](=[O:31])[CH2:15][CH:16]1[c:17]1[c:18]([O:24][C:25]([CH3:26])([CH3:27])[C:28](=[O:29])[OH:30])[cH:19][cH:20][c:21]([Cl:23])[cH:22]1.[ClH:59].[H-:58].[Na+:57].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]21[CH:12]([c:32]2[c:33]([CH3:39])[cH:34][cH:35][c:36]([Cl:38])[cH:37]2)[NH:13][C:14](=[O:31])[CH2:15][CH:16]1[c:17]1[c:18]([O:24][C:25]([CH3:26])([CH3:27])[C:28](=[O:29])[NH:56][S:53]([CH3:52])(=[O:54])=[O:55])[cH:19][cH:20][c:21]([Cl:23])[cH:22]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 72879MethanesulfonamideHCID 166653HydrideHCID 86632096HCID 86632096, compound

Product 1

HCID 74928688HCID 74928688, compound

Sources & evidence

ORD record
ord-9a796331f4724ef49be8cf045c8f059f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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