Water → Imatinib

HRID 214285

Reaction equation

HRID 214285 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.[CH3:38][S:39]([OH:40])(=[O:41])=[O:42].[CH:43]([OH:44])([CH3:45])[CH3:46].[OH2:47]>>[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.[CH3:38][S:39](=[O:40])(=[O:41])[OH:42]

Participants

6

Reactant 4

HCID 962WaterHCID 3776IsopropanolHCID 5291ImatinibHCID 6395Methanesulfonic Acid

Product 2

HCID 5291ImatinibHCID 6395Methanesulfonic Acid

Sources & evidence

ORD record
ord-a918774fc95b49d68e9c9fca4383f63d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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