Water → HCID 86647059, compound

HRID 171529Notes

Reaction equation

HRID 171529 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[cH:17][c:18]([CH:31]([c:32]4[cH:33][cH:34][c:35]([S:38](=[O:39])(=[O:40])[N:41]([CH3:42])[CH3:43])[cH:36][cH:37]4)[OH:44])[cH:19][n:20][c:21]3[NH:22][c:23]3[cH:24][n:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:45][c:46]2[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]2)[cH:54][cH:55]1.[CH3:62][S:63]([Cl:64])(=[O:65])=[O:66].[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[Cl:67][CH2:68][Cl:69].[O:77]1[CH2:78][CH2:79][O:80][CH2:81][CH2:82]1.[OH2:70].[cH:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[cH:17][c:18]([CH:31]([c:32]4[cH:33][cH:34][c:35]([S:38](=[O:39])(=[O:40])[N:41]([CH3:42])[CH3:43])[cH:36][cH:37]4)[O:44][S:63]([CH3:62])(=[O:65])=[O:66])[cH:19][n:20][c:21]3[NH:22][c:23]3[cH:24][n:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:45][c:46]2[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]2)[cH:54][cH:55]1

Participants

8

Reactant 7

HCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 31297Methanesulfonyl chlorideHCID 666120144-((5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(6-methoxypyridin-3-ylamino)pyridin-3-yl)(hydroxy)methyl)-N,N-dimethylbenzenesulfonamide

Product 1

HCID 86647059HCID 86647059, compound

Sources & evidence

ORD record
ord-ef426bbbd2c44dc084c72f80616b3242
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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