Triphosgene → HCID 52943744, compound

HRID 701133Notes

Reaction equation

HRID 701133 reaction equation
[CH3:40][N:41]1[CH2:42][CH2:43][N:44]([c:47]2[cH:48][cH:49][c:50]([NH2:51])[cH:52][cH:53]2)[CH2:45][CH2:46]1.[Cl:28][C:29]([Cl:30])([O:31][C:32]([O:33][C:34]([Cl:35])([Cl:36])[Cl:37])=[O:38])[Cl:39].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9](-[c:21]3[cH:22][cH:23][c:24]([NH2:25])[cH:26][cH:27]3)[n:10][c:11]([N:13]3[CH:14]4[CH2:15][O:16][CH2:17][CH:18]3[CH2:19][CH2:20]4)[n:12]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9](-[c:21]3[cH:22][cH:23][c:24]([NH:25][C:32](=[O:38])[NH:51][c:50]4[cH:49][cH:48][c:47]([N:44]5[CH2:43][CH2:42][N:41]([CH3:40])[CH2:46][CH2:45]5)[cH:53][cH:52]4)[cH:26][cH:27]3)[n:10][c:11]([N:13]3[CH:14]4[CH2:15][O:16][CH2:17][CH:18]3[CH2:19][CH2:20]4)[n:12]2)[CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 94429TriphosgeneHCID 7372534-(4-Methylpiperazin-1-yl)anilineHCID 670216444-[4-Morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]aniline

Product 1

HCID 52943744HCID 52943744, compound

Sources & evidence

ORD record
ord-bdc3f5902a214ec38e3944975d2a2e60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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