Toluene → HCID 57206225, compound

HRID 1142201Notes

Reaction equation

HRID 1142201 reaction equation
[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:1][S:2](=[O:3])[c:4]1[c:5]2[cH:6][c:7]3[cH:8][cH:9][c:10]([OH:18])[cH:11][c:12]3[cH:13][c:14]2[cH:15][cH:16][cH:17]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:26]1[CH2:27][CH2:28][CH2:29][CH2:30]1.[P:31]([O:32][c:33]1[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]1)([S:40][c:41]1[cH:42][cH:43][c:44]([N+:47](=[O:48])[O-:49])[cH:45][cH:46]1)([Cl:50])=[O:51]>>[CH3:1][S:2](=[O:3])[c:4]1[c:5]2[cH:6][c:7]3[cH:8][cH:9][c:10]([O:18][P:31]([O:32][c:33]4[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]4)([S:40][c:41]4[cH:42][cH:43][c:44]([N+:47](=[O:48])[O-:49])[cH:45][cH:46]4)=[O:51])[cH:11][c:12]3[cH:13][c:14]2[cH:15][cH:16][cH:17]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 20443603HCID 20443603, compoundHCID 57296761HCID 57296761, compound

Product 1

HCID 57206225HCID 57206225, compound

Sources & evidence

ORD record
ord-e993f126eba14ff8a2ba0d32e0b20c6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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