Toluene → HCID 15710728, compound

HRID 1140797Notes

Reaction equation

HRID 1140797 reaction equation
[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl:1][CH2:2][CH2:3][CH2:4][N:5]1[S:6](=[O:17])(=[O:18])[c:7]2[c:8]3[c:9]1[cH:10][cH:11][cH:12][c:13]3[cH:14][cH:15][cH:16]2.[F:26][c:27]1[c:28]([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:29][cH:30][cH:31][cH:32]1>>[CH2:2]([CH2:3][CH2:4][N:5]1[S:6](=[O:17])(=[O:18])[c:7]2[c:8]3[c:9]1[cH:10][cH:11][cH:12][c:13]3[cH:14][cH:15][cH:16]2)[N:36]1[CH2:35][CH2:34][N:33]([c:28]2[c:27]([F:26])[cH:32][cH:31][cH:30][cH:29]2)[CH2:38][CH2:37]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8471TriethylamineHCID 705291-(2-Fluorophenyl)piperazineHCID 145800262(3-Chloropropyl)naphtho[1,8-cd]isothiazole 1,1-dioxide

Product 1

HCID 15710728HCID 15710728, compound

Sources & evidence

ORD record
ord-4b2a005c6dac4cedb7dbd1cf5b65e22b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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