Dimethyl Sulfoxide → (+/-)-3-(3-(4-methoxy-phenyl)-4-methyl-7-{3-[2-(4-methyl-piperazin-1-yl)-ethyl]-phenylamino}-2-oxo-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl)-benzamide
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[C:10](=[O:44])[N:11]([c:36]3[cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42][cH:43]3)[c:12]3[n:13][c:14]([NH:20][c:21]4[cH:22][c:23]([CH2:27][CH2:28][N:29]5[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]5)[cH:24][cH:25][cH:26]4)[n:15][cH:16][c:17]3[CH:18]2[CH3:19])[cH:7][cH:8]1.[CH3:57][S:58](=[O:59])[CH3:60].[N:47]#[C:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Na+:46].[OH-:45].[OH:55][OH:56]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[C:10](=[O:44])[N:11]([c:36]3[cH:37][c:38]([C:39]([NH2:40])=[O:45])[cH:41][cH:42][cH:43]3)[c:12]3[n:13][c:14]([NH:20][c:21]4[cH:22][c:23]([CH2:27][CH2:28][N:29]5[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]5)[cH:24][cH:25][cH:26]4)[n:15][cH:16][c:17]3[CH:18]2[CH3:19])[cH:7][cH:8]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-5088dc6b1dac4ae8bdff5ec34aa965bc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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