Methanol → HCID 66593002, compound

HRID 1546435Notes

Reaction equation

HRID 1546435 reaction equation
[CH3:47][OH:48].[c:49]1([CH3:50])[c:51]([CH3:52])[cH:53][cH:54][cH:55][cH:56]1.[n:1]1[n:2](-[c:10]2[c:11]([OH:26])[c:12]([CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])[cH:13][c:14]([CH2:16][CH2:17][CH2:18][OH:19])[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2.[n:27]1[n:28](-[c:36]2[c:37]([OH:46])[cH:38][cH:39][c:40]([CH2:42][CH2:43][CH2:44][OH:45])[cH:41]2)[n:29][c:30]2[c:31]1[cH:32][cH:33][cH:34][cH:35]2>>[n:1]1[n:2](-[c:10]2[c:11]([OH:26])[c:12]([CH2:20][c:38]3[c:37]([OH:46])[c:36](-[n:28]4[n:27][c:31]5[c:30]([n:29]4)[cH:35][cH:34][cH:33][cH:32]5)[cH:41][c:40]([CH2:42][CH2:43][CH2:44][OH:45])[cH:39]3)[cH:13][c:14]([CH2:16][CH2:17][CH2:18][OH:19])[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

5

Reactant 4

HCID 887MethanolHCID 7237O-XyleneHCID 53658826HCID 53658826, compoundHCID 53834748HCID 53834748, compound

Product 1

HCID 66593002HCID 66593002, compound

Sources & evidence

ORD record
ord-e6a30dc52476427a9db7d2d01a089116
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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