Methanol → HCID 56661559, compound

HRID 1151310Notes

Reaction equation

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

Participants

Reactant 6

HCID 887Methanol

HCID 961Hydroxide

HCID 962Water2×

HCID 8028Tetrahydrofuran

HCID 28486Lithium ion

HCID 566719254-{3-[2-(1-Methyl-5-trifluoromethyl-1H-indazol-3-ylamino)-acetylamino]-azetidin-1-yl}-cyclohexane carboxylic acid ethyl ester

Product 1

HCID 56661559HCID 56661559, compound

Sources & evidence

ORD record: ord-4c1c988ec61d4054b7d03acf6915ab1d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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