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Dichloromethane → N-butan-2-yl-3-[[4-[4-(2,2-dimethylpropylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]benzamide

HRID 666748
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HRID 666748 반응식
[C:1]([O:2][C:3]([Cl:4])([Cl:5])[Cl:6])([O:7][C:8]([Cl:9])([Cl:10])[Cl:11])=[O:12].[CH2:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH:48]([CH3:49])[CH3:50])[CH3:51].[CH3:52][C:53]([CH2:54][NH2:55])([CH3:56])[CH3:57].[Cl:58][CH2:59][Cl:60].[NH2:13][c:14]1[c:15]([F:42])[cH:16][c:17]([C:18](=[O:19])[N:20]2[CH2:21][CH2:22][N:23]([CH2:26][c:27]3[cH:28][c:29]([C:30](=[O:31])[NH:32][CH:33]([CH3:34])[CH2:35][CH3:36])[cH:37][cH:38][cH:39]3)[CH2:24][CH2:25]2)[cH:40][cH:41]1>>[C:1](=[O:12])([NH:13][c:14]1[c:15]([F:42])[cH:16][c:17]([C:18](=[O:19])[N:20]2[CH2:21][CH2:22][N:23]([CH2:26][c:27]3[cH:28][c:29]([C:30](=[O:31])[NH:32][CH:33]([CH3:34])[CH2:35][CH3:36])[cH:37][cH:38][cH:39]3)[CH2:24][CH2:25]2)[cH:40][cH:41]1)[NH:55][CH2:54][C:53]([CH3:52])([CH3:56])[CH3:57]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6344DichloromethaneHCID 79882NeopentylamineHCID 81531DiisopropylethylamineHCID 94429TriphosgeneHCID 668793193-[[4-(4-amino-3-fluorobenzoyl)piperazin-1-yl]methyl]-N-butan-2-ylbenzamide

생성물 1

HCID 66878216N-butan-2-yl-3-[[4-[4-(2,2-dimethylpropylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]benzamide

출처 및 근거

ORD 기록
ord-1eb4899107f24784b0e67d9da1a7ab6e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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