Methanesulfonate → HCID 178429840, compound

HRID 694343Notes

Reaction equation

HRID 694343 reaction equation
[CH2:45]1[CH2:46][c:47]2[cH:48][cH:49][c:50]([N:57]3[CH2:58][CH:59]([CH3:63])[NH:60][CH2:61][CH2:62]3)[c:51]3[cH:52][cH:53][cH:54][c:55]1[c:56]23.[CH3:16][S:17](=[O:18])(=[O:19])[O-:20].[CH3:21][S:22]([O:23][CH2:24][CH2:25][CH:26]1[c:27]2[cH:28][cH:29][c:30]([C:31]([NH2:32])=[O:33])[cH:34][c:35]2[CH2:36][CH2:37][O:38]1)(=[O:39])=[O:40].[OH:1][CH2:2][CH2:3][CH:4]1[O:5][CH2:6][c:7]2[c:8]1[cH:9][cH:10][c:11]([C:13](=[O:14])[NH2:15])[cH:12]2.[SH:41](=[O:42])(=[O:43])[O-:44]>>[CH2:2]([CH2:3][CH:4]1[O:5][CH2:6][c:7]2[c:8]1[cH:9][cH:10][c:11]([C:13](=[O:14])[NH2:15])[cH:12]2)[N:60]1[CH:59]([CH3:63])[CH2:58][N:57]([c:50]2[cH:49][cH:48][c:47]3[c:56]4[c:51]2[cH:52][cH:53][cH:54][c:55]4[CH2:45][CH2:46]3)[CH2:62][CH2:61]1

Participants

6

Reactant 5

HCID 85257MethanesulfonateHCID 656472Oxido(dioxo)-lambda6-sulfaneHCID 155404812-[6-(aminocarbonyl)-3,4-dihydro-1H-2-benzopyran-1-yl]ethyl methanesulfonateHCID 693072701-(2-Hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamideHCID 776362251-(1,2-Dihydroacenaphthylen-5-yl)-3-methylpiperazine

Product 1

HCID 178429840HCID 178429840, compound

Sources & evidence

ORD record
ord-b9189dafcd7c46478e55b0552c8c86d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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