Dichloromethane → N-tert-Butyl-3-((4-(2-chloro-4-(3-(cyclopropylmethyl)ureido)-3-fluorobenzoyl)piperazin-1-yl)methyl)benzamide

HRID 1132020Notes

Reaction equation

HRID 1132020 reaction equation
[C:1]([O:2][C:3]([Cl:4])([Cl:5])[Cl:6])([O:7][C:8]([Cl:9])([Cl:10])[Cl:11])=[O:12].[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH:51]1([CH2:54][NH2:55])[CH2:52][CH2:53]1.[Cl:56][CH2:57][Cl:58].[NH2:20][c:21]1[c:22]([F:50])[c:23]([Cl:49])[c:24]([C:25](=[O:26])[N:27]2[CH2:28][CH2:29][N:30]([CH2:33][c:34]3[cH:35][c:36]([C:37](=[O:38])[NH:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:44][cH:45][cH:46]3)[CH2:31][CH2:32]2)[cH:47][cH:48]1>>[C:1](=[O:12])([NH:20][c:21]1[c:22]([F:50])[c:23]([Cl:49])[c:24]([C:25](=[O:26])[N:27]2[CH2:28][CH2:29][N:30]([CH2:33][c:34]3[cH:35][c:36]([C:37](=[O:38])[NH:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:44][cH:45][cH:46]3)[CH2:31][CH2:32]2)[cH:47][cH:48]1)[NH:55][CH2:54][CH:51]1[CH2:52][CH2:53]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 75646CyclopropanemethanamineHCID 94429TriphosgeneHCID 579176283-((4-(4-Amino-2-chloro-3-fluorobenzoyl)piperazin-1-yl)methyl)-N-tert-butylbenzamide

Product 1

HCID 57917615N-tert-Butyl-3-((4-(2-chloro-4-(3-(cyclopropylmethyl)ureido)-3-fluorobenzoyl)piperazin-1-yl)methyl)benzamide

Sources & evidence

ORD record
ord-8be7ccfc3d33470a907006cc794b85a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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