Methanol → HCID 14403640, compound

HRID 304867Notes

Reaction equation

HRID 304867 reaction equation
[CH3:28][O:29][C:30](=[O:31])[CH:32]1[CH2:33][c:34]2[c:35]([n:38][cH:39][n:40]2[CH2:41][c:42]2[cH:43][c:44]([CH3:51])[c:45]([N+:48](=[O:49])[O-:50])[cH:46][cH:47]2)[CH2:36][NH:37]1.[CH3:52][OH:53].[CH3:54][C:55]#[N:56].[OH2:1].[OH:2][c:3]1[c:4]2[n:5][n:6][nH:7][c:8]2[cH:9][cH:10][cH:11]1.[c:12]1([CH:18]([C:19](=[O:20])[OH:21])[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[c:12]1([CH:18]([C:19](=[O:21])[N:37]2[CH:32]([C:30]([O:29][CH3:28])=[O:31])[CH2:33][c:34]3[c:35]([n:38][cH:39][n:40]3[CH2:41][c:42]3[cH:43][c:44]([CH3:51])[c:45]([N+:48](=[O:49])[O-:50])[cH:46][cH:47]3)[CH2:36]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:13][cH:14][cH:15][cH:16][cH:17]1

Participants

7

Reactant 6

HCID 887MethanolHCID 962WaterHCID 6342AcetonitrileHCID 8333Diphenylacetic AcidHCID 14457530HCID 14457530, compoundHCID 178418300HCID 178418300, compound

Product 1

HCID 14403640HCID 14403640, compound

Sources & evidence

ORD record
ord-54fa4396ddc14cd29897690d98def217
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…