Hydrochloric Acid → HCID 74928669, compound

HRID 1144440Notes

Reaction equation

HRID 1144440 reaction equation
[C:41]([n:42]1[cH:43][cH:44][n:45][cH:46]1)([n:47]1[cH:48][cH:49][n:50][cH:51]1)=[O:52].[CH3:53][S:54](=[O:55])(=[O:56])[NH2:57].[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]([O:39][CH3:40])[cH:34][cH:35][c:36]([CH3:38])[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:60].[H-:59].[Na+:58].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:66]>>[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]([O:39][CH3:40])[cH:34][cH:35][c:36]([CH3:38])[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:30])[NH:57][S:54]([CH3:53])(=[O:55])=[O:56])[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 86632094HCID 86632094, compound

Product 1

HCID 74928669HCID 74928669, compound

Sources & evidence

ORD record
ord-72e156008141470f8f5d9ede5b50614b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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