Dichloromethane → 3-((4-(4-(3-(Cyclopropylmethyl)ureido)-3-fluorobenzoyl)piperazin-1-yl)methyl)-N-(3,3-difluorocyclobutyl)benzamide

HRID 681451Notes

Reaction equation

HRID 681451 reaction equation
[C:42]([O:43][C:44]([Cl:45])([Cl:46])[Cl:47])([O:48][C:49]([Cl:50])([Cl:51])[Cl:52])=[O:53].[CH2:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40])[CH3:41].[CH:54]1([CH2:57][NH2:58])[CH2:55][CH2:56]1.[Cl:59][CH2:60][Cl:61].[NH2:1][c:2]1[c:3]([F:32])[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][c:17]([C:18](=[O:19])[NH:20][CH:21]4[CH2:22][C:23]([F:25])([F:26])[CH2:24]4)[cH:27][cH:28][cH:29]3)[CH2:12][CH2:13]2)[cH:30][cH:31]1>>[NH:1]([c:2]1[c:3]([F:32])[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][c:17]([C:18](=[O:19])[NH:20][CH:21]4[CH2:22][C:23]([F:25])([F:26])[CH2:24]4)[cH:27][cH:28][cH:29]3)[CH2:12][CH2:13]2)[cH:30][cH:31]1)[C:42](=[O:53])[NH:58][CH2:57][CH:54]1[CH2:55][CH2:56]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 75646CyclopropanemethanamineHCID 81531DiisopropylethylamineHCID 94429TriphosgeneHCID 579176123-((4-(4-Amino-3-fluorobenzoyl)piperazin-1-yl)methyl)-N-(3,3-difluorocyclobutyl)benzamide

Product 1

HCID 579176633-((4-(4-(3-(Cyclopropylmethyl)ureido)-3-fluorobenzoyl)piperazin-1-yl)methyl)-N-(3,3-difluorocyclobutyl)benzamide

Sources & evidence

ORD record
ord-7086755448ed40218778bae534ee6857
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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