Water → Imatinib

HRID 2124517Notes

Reaction equation

HRID 2124517 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]([CH3:22])[c:23]([NH:24][c:25]4[n:26][cH:27][cH:28][c:29](-[c:31]5[cH:32][cH:33][cH:34][n:35][cH:36]5)[n:30]4)[cH:37]3)[cH:13][cH:14]2)[CH2:6][CH2:7]1.[CH3:39][S:40]([OH:41])(=[O:42])=[O:43].[O:44]1[CH2:45][CH2:46][O:47][CH2:48]1.[OH2:38]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]([CH3:22])[c:23]([NH:24][c:25]4[n:26][cH:27][cH:28][c:29](-[c:31]5[cH:32][cH:33][cH:34][n:35][cH:36]5)[n:30]4)[cH:37]3)[cH:13][cH:14]2)[CH2:6][CH2:7]1.[CH3:39][S:40](=[O:41])(=[O:42])[OH:43]

Participants

6

Reactant 4

HCID 962WaterHCID 5291ImatinibHCID 6395Methanesulfonic AcidHCID 125861,3-Dioxolane

Product 2

HCID 5291ImatinibHCID 6395Methanesulfonic Acid

Sources & evidence

ORD record
ord-5b031e4a1f54470ab3bc8d664d826778
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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