Benzoic Acid → Benzoate

HRID 670321Notes

Reaction equation

HRID 670321 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:13](=[O:14])[NH:15][c:16]3[cH:17][c:18]([NH:23][c:24]4[n:25][cH:26][cH:27][c:28](-[c:30]5[cH:31][n:32][cH:33][cH:34][cH:35]5)[n:29]4)[c:19]([CH3:22])[cH:20][cH:21]3)[cH:36][cH:37]2)[CH2:6][CH2:7]1.[OH:38][C:39](=[O:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[c:47]1([CH3:48])[c:49]([CH3:50])[cH:51][cH:52][cH:53][cH:54]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18]([NH:23][c:24]4[n:25][cH:26][cH:27][c:28](-[c:30]5[cH:31][n:32][cH:33][cH:34][cH:35]5)[n:29]4)[c:19]([CH3:22])[cH:20][cH:21]3)[cH:36][cH:37]2)[CH2:6][CH2:7]1.[O:38]=[C:39]([O-:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1

Participants

5

Reactant 3

HCID 243Benzoic AcidHCID 5291ImatinibHCID 7237O-Xylene

Product 2

HCID 242BenzoateHCID 5291Imatinib

Sources & evidence

ORD record
ord-22e6544cc4b847108b61c412533c4daa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…