Sulfuric Acid → HCID 72312730, compound

HRID 1137030Notes

Reaction equation

HRID 1137030 reaction equation
[CH3:15][S:16][C:17]([C:18]([c:19]1[c:20]([F:29])[c:21]([O:27][CH3:28])[cH:22][c:23]([O:25][CH3:26])[cH:24]1)=[N:30][c:31]1[cH:32][cH:33][c:34]([C:37]#[N:38])[cH:35][cH:36]1)=[NH:39].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:10][C:11](=[O:12])[O:13][CH3:14].[S:40](=[O:41])(=[O:42])([OH:43])[OH:44].[n:1]1[c:2]([CH3:3])[cH:4][c:5]([CH3:6])[cH:7][c:8]1[CH3:9]>>[C:11](=[O:12])([O:13][CH3:14])[N:39]=[C:17]([S:16][CH3:15])[C:18]([c:19]1[c:20]([F:29])[c:21]([O:27][CH3:28])[cH:22][c:23]([O:25][CH3:26])[cH:24]1)=[N:30][c:31]1[cH:32][cH:33][c:34]([C:37]#[N:38])[cH:35][cH:36]1

Participants

7

Reactant 6

HCID 1118Sulfuric AcidHCID 1140TolueneHCID 6586Methyl chloroformateHCID 79532,4,6-TrimethylpyridineHCID 8857Ethyl AcetateHCID 59517045HCID 59517045, compound

Product 1

HCID 72312730HCID 72312730, compound

Sources & evidence

ORD record
ord-44ca477cd6c845d797bb321897d0a69c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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