Acetic Acid → HCID 11249049, compound

HRID 167122Notes

Reaction equation

HRID 167122 reaction equation
[C:31]([OH:32])(=[O:33])[CH3:34].[CH3:43][OH:44].[NH:35]1[CH2:36][CH:37]([CH2:41][OH:42])[CH2:38][CH2:39][CH2:40]1.[O:1]=[CH:2][CH2:3][CH2:4][n:5]1[n:6][c:7]2[cH:8][c:9]([NH:14][C:15](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]([O:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:22][cH:23]3)[cH:10][cH:11][c:12]2[cH:13]1>>[CH2:2]([CH2:3][CH2:4][n:5]1[n:6][c:7]2[cH:8][c:9]([NH:14][C:15](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]([O:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:22][cH:23]3)[cH:10][cH:11][c:12]2[cH:13]1)[N:35]1[CH2:36][CH:37]([CH2:41][OH:42])[CH2:38][CH2:39][CH2:40]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 107308Piperidin-3-ylmethanolHCID 221389081-[2-(3-oxopropyl)-2H-indazol-6-yl]-3-(4-phenoxyphenyl)urea

Product 1

HCID 11249049HCID 11249049, compound

Sources & evidence

ORD record
ord-264e969a39634ea9b56b0872114dee31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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