Toluene → HCID 178522430, compound

HRID 302439Notes

Reaction equation

HRID 302439 reaction equation
[CH2:27]1[CH2:28][S:29][CH2:30][CH2:31][NH:32]1.[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cl:1][C:2]([Cl:3])=[O:4].[Cl:40][CH2:41][Cl:42].[O:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[cH:13][c:14]3[c:15]([nH:16][c:17](-[c:19]4[n:20][nH:21][cH:22][c:23]4[NH2:24])[n:18]3)[cH:25][cH:26]2)[CH2:9][CH2:10]1>>[C:2](=[O:4])([NH:24][c:23]1[c:19](-[c:17]2[nH:16][c:15]3[c:14]([cH:13][c:12]([CH2:11][N:8]4[CH2:7][CH2:6][O:5][CH2:10][CH2:9]4)[cH:26][cH:25]3)[n:18]2)[n:20][nH:21][cH:22]1)[N:32]1[CH2:27][CH2:28][S:29][CH2:30][CH2:31]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 6344DichloromethaneHCID 6371PhosgeneHCID 67164ThiomorpholineHCID 178508054HCID 178508054, compound

Product 1

HCID 178522430HCID 178522430, compound

Sources & evidence

ORD record
ord-53114a46a2744809afdbf49e96505c72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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