Dimethyl Sulfoxide → HCID 57955170, compound

HRID 1216133Notes

Reaction equation

[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH3:53][S:54]([CH3:55])=[O:56].[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:21]1[cH:22][cH:23][c:24]([NH:27][C:28](=[O:29])[NH:30][c:31]3[n:32][cH:33][cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]3)[cH:25][cH:26]1)[c:9]([CH:18]([CH3:19])[OH:20])[c:10]2[CH2:11][N:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1.[Na+:45].[O-:41][C:42]([OH:43])=[O:44].[OH2:52]>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:21]1[cH:22][cH:23][c:24]([NH:27][C:28](=[O:29])[NH:30][c:31]3[n:32][cH:33][cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]3)[cH:25][cH:26]1)[c:9]([C:18]([CH3:19])=[O:20])[c:10]2[CH2:11][N:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1

Participants

Reactant 6

HCID 679Dimethyl Sulfoxide

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 962Water

HCID 8857Ethyl Acetate

HCID 57955308N-{4-[4-amino-6-(1-hydroxyethyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]-triazin-5-yl]phenyl}-N'-[4-(trifluoromethyl)-pyridin-2-yl]urea

Product 1

HCID 57955170HCID 57955170, compound

Sources & evidence

ORD record: ord-5c30e1c8922a458e95ba1af81faf0f86
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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