Methanol → HCID 59736909, compound

HRID 1568433Notes

Reaction equation

HRID 1568433 reaction equation
[C:29]([CH3:30])(=[O:31])[O:32][CH2:33][CH2:34][n:35]1[c:36]([CH3:61])[n:37][c:38]2[c:39]1[cH:40][cH:41][c:42]([C:44]([NH:45][c:46]1[c:47]([N+:57]([O-:58])=[O:59])[cH:48][cH:49][c:50](-[c:52]3[s:53][cH:54][cH:55][cH:56]3)[cH:51]1)=[O:60])[cH:43]2.[CH3:62][OH:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[N+:1]([c:2]1[cH:3][cH:4][c:5](-[c:6]2[s:7][cH:8][cH:9][cH:10]2)[cH:11][c:12]1[NH:13][C:14](=[O:15])[c:16]1[cH:17][cH:18][c:19](-[c:20]2[nH:21][n:22][n:23][n:24]2)[cH:25][cH:26]1)([O-:27])=[O:28]>>[C:29]([CH3:30])(=[O:31])[O:32][CH2:33][CH2:34][n:35]1[c:36]([CH3:61])[n:37][c:38]2[c:39]1[cH:40][cH:41][c:42]([C:44]([NH:45][c:46]1[c:47]([NH2:57])[cH:48][cH:49][c:50](-[c:52]3[s:53][cH:54][cH:55][cH:56]3)[cH:51]1)=[O:60])[cH:43]2

Participants

5

Reactant 4

HCID 887MethanolHCID 8857Ethyl AcetateHCID 59736895HCID 59736895, compoundHCID 178521762HCID 178521762, compound

Product 1

HCID 59736909HCID 59736909, compound

Sources & evidence

ORD record
ord-fe03f56fb05145739fe2fcd79c64263d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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