Hydrochloric Acid → HCID 59136034, compound

HRID 306737Notes

Reaction equation

HRID 306737 reaction equation
[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12]3=[N:16][CH2:15][CH:14]([CH2:17][C:18](=[O:19])[OH:20])[S:13]3)[nH:10][c:11]12)[S:21](=[O:22])(=[O:23])[c:24]1[s:25][cH:26][cH:27][cH:28]1.[CH3:29][c:30]1[cH:31][cH:32][cH:33][c:34]([N+:35]([O-:36])=[O:37])[c:38]1[C:39]([O:40][C:41](=[O:42])[c:43]1[c:44]([N+:45]([O-:46])=[O:47])[cH:48][cH:49][cH:50][c:51]1[CH3:52])=[O:53].[CH3:54][S:55](=[O:56])(=[O:57])[NH2:58].[CH3:60][N:61]([CH3:62])[c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1.[CH3:69][C:70]#[N:71].[CH3:72][CH2:73][N:74]([CH2:75][CH3:76])[CH2:77][CH3:78].[ClH:59]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12]3=[N:16][CH2:15][CH:14]([CH2:17][C:18](=[O:19])[NH:58][S:55]([CH3:54])(=[O:56])=[O:57])[S:13]3)[nH:10][c:11]12)[S:21](=[O:22])(=[O:23])[c:24]1[s:25][cH:26][cH:27][cH:28]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 72879MethanesulfonamideHCID 104726482-Methyl-6-nitrobenzoic anhydrideHCID 59135943HCID 59135943, compound

Product 1

HCID 59136034HCID 59136034, compound

Sources & evidence

ORD record
ord-c806966d61d94b3eb0076b3a8f2cabf5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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