Toluene → HCID 57199963, compound

HRID 200104Notes

Reaction equation

HRID 200104 reaction equation
[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[cH:8][c:9]3[cH:10][cH:11][c:12]([OH:18])[cH:13][c:14]3[cH:15][c:16]2[cH:17]1.[O:26]1[CH2:27][CH2:28][CH2:29][CH2:30]1.[P:31]([S:32][CH2:33][CH2:34][CH3:35])([Cl:36])(=[O:37])[S:38][c:39]1[cH:40][cH:41][c:42]([C:45]#[N:46])[cH:43][cH:44]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[cH:8][c:9]3[cH:10][cH:11][c:12]([O:18][P:31]([S:32][CH2:33][CH2:34][CH3:35])(=[O:37])[S:38][c:39]4[cH:40][cH:41][c:42]([C:45]#[N:46])[cH:43][cH:44]4)[cH:13][c:14]3[cH:15][c:16]2[cH:17]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 20443597HCID 20443597, compoundHCID 57316881HCID 57316881, compound

Product 1

HCID 57199963HCID 57199963, compound

Sources & evidence

ORD record
ord-d5aa1195a4234ab1986a063a53bd6fcd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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