Methanesulfonic Acid → HCID 178429843, compound

HRID 153993Notes

Reaction equation

HRID 153993 reaction equation
[CH2:51]1[CH2:52][c:53]2[cH:54][cH:55][c:56]([N:63]3[CH2:64][CH:65]([CH3:69])[NH:66][CH2:67][CH2:68]3)[c:57]3[cH:58][cH:59][cH:60][c:61]1[c:62]23.[CH3:21][S:22](=[O:23])(=[O:24])[Cl:25].[CH3:26][S:27]([O:28][CH2:29][CH2:30][CH:31]1[c:32]2[cH:33][cH:34][c:35]([C:36]([NH2:37])=[O:38])[cH:39][c:40]2[CH2:41][CH2:42][O:43]1)(=[O:44])=[O:45].[CH3:46][S:47]([OH:48])(=[O:49])=[O:50].[O:1]=[S:2]1(=[O:20])[N:3]([c:7]2[cH:8][cH:9][c:10]3[c:11]([cH:19]2)[CH2:12][CH2:13][O:14][CH:15]3[CH2:16][CH2:17][OH:18])[CH2:4][CH2:5][CH2:6]1>>[O:1]=[S:2]1(=[O:20])[N:3]([c:7]2[cH:8][cH:9][c:10]3[c:11]([cH:19]2)[CH2:12][CH2:13][O:14][CH:15]3[CH2:16][CH2:17][N:66]2[CH:65]([CH3:69])[CH2:64][N:63]([c:56]3[cH:55][cH:54][c:53]4[c:62]5[c:57]3[cH:58][cH:59][cH:60][c:61]5[CH2:51][CH2:52]4)[CH2:68][CH2:67]2)[CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 6395Methanesulfonic AcidHCID 31297Methanesulfonyl chlorideHCID 155404812-[6-(aminocarbonyl)-3,4-dihydro-1H-2-benzopyran-1-yl]ethyl methanesulfonateHCID 776362251-(1,2-Dihydroacenaphthylen-5-yl)-3-methylpiperazineHCID 178527141HCID 178527141, compound

Product 1

HCID 178429843HCID 178429843, compound

Sources & evidence

ORD record
ord-60999c4a41e64c588c52629ffc5a7d78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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