Toluene → HCID 58997059, compound

HRID 2123178Notes

Reaction equation

HRID 2123178 reaction equation
[CH3:1][c:2]1[c:3]([CH2:8][N:9]([CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[CH2:16][c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[CH3:23])[n:4][cH:5][cH:6][cH:7]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[Cl:33][C:34]([Cl:35])=[O:36].[NH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1[OH:44]>>[CH3:1][c:2]1[c:3]([CH2:8][N:9]([CH:10]2[CH2:11][CH2:12][N:13]([C:34](=[O:36])[NH:37][c:38]3[cH:39][cH:40][cH:41][cH:42][c:43]3[OH:44])[CH2:14][CH2:15]2)[CH2:16][c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[CH3:23])[n:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 58012-AminophenolHCID 6371PhosgeneHCID 81531DiisopropylethylamineHCID 58996965Bis-(3-methyl-pyridin-2-ylmethyl)-piperidin-4-yl-amine

Product 1

HCID 58997059HCID 58997059, compound

Sources & evidence

ORD record
ord-66b302088beb4afa8403101079a119d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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