Dimethyl Sulfoxide → HCID 9872939, compound

HRID 698776Notes

Reaction equation

HRID 698776 reaction equation
[CH3:59][S:60]([CH3:61])=[O:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[CH:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH2:55][CH3:56])([CH3:57])[CH3:58].[Cl:1][C:2]([Cl:3])([Cl:4])[CH2:24][O:25][C:5](=[O:6])[NH:7][c:8]1[cH:9][c:10]([C:20]([CH3:21])([CH3:22])[CH3:23])[n:11][n:12]1-[c:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1.[NH2:26][c:27]1[cH:28][cH:29][c:30](-[c:37]2[cH:38][n:39][c:40]([CH2:43][N:44]3[CH2:45][CH2:46][O:47][CH2:48][CH2:49]3)[cH:41][cH:42]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12>>[C:5](=[O:6])([NH:7][c:8]1[cH:9][c:10]([C:20]([CH3:21])([CH3:22])[CH3:23])[n:11][n:12]1-[c:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1)[NH:26][c:27]1[cH:28][cH:29][c:30](-[c:37]2[cH:38][n:39][c:40]([CH2:43][N:44]3[CH2:45][CH2:46][O:47][CH2:48][CH2:49]3)[cH:41][cH:42]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 99310942,2,2-Trichloroethyl 3-tert-butyl-1-P-tolyl-1H-pyrazol-5-ylcarbamateHCID 102679534-[5-(4-Aminonaphthyl)pyridin-2-ylmethyl]morpholine

Product 1

HCID 9872939HCID 9872939, compound

Sources & evidence

ORD record
ord-a84fd4779aef4a4fab89635f7a3f417c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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