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Potassium Cation → 3-chloro-N-[1-[[3,4-dioxo-2-(pyridin-3-ylamino)cyclobuten-1-yl]amino]-3,3-dimethylbutyl]benzamide

HRID 88671
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반응식

HRID 88671 반응식
[K+:40].[K+:41].[NH2:1][c:2]1[c:3](=[O:14])[c:4](=[O:13])[c:5]1[NH:6][c:7]1[cH:8][n:9][cH:10][cH:11][cH:12]1.[O-:42][C:43]([O-:44])=[O:45].[n:15]1([CH:24]([CH2:25][C:26]([CH3:27])([CH3:28])[CH3:29])[NH:30][C:31]([c:32]2[cH:33][c:34]([Cl:38])[cH:35][cH:36][cH:37]2)=[O:39])[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1>>[NH:1]([c:2]1[c:3](=[O:14])[c:4](=[O:13])[c:5]1[NH:6][c:7]1[cH:8][n:9][cH:10][cH:11][cH:12]1)[CH:24]([CH2:25][C:26]([CH3:27])([CH3:28])[CH3:29])[NH:30][C:31]([c:32]1[cH:33][c:34]([Cl:38])[cH:35][cH:36][cH:37]1)=[O:39]
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참가 물질

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반응물 4

HCID 813Potassium Cation2회HCID 19660Carbonate IonHCID 106314913-Amino-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dioneHCID 18379752N-(1-Benzotriazol-1-yl-3,3-dimethyl-butyl)-3-chloro-benzamide

생성물 1

HCID 101132963-chloro-N-[1-[[3,4-dioxo-2-(pyridin-3-ylamino)cyclobuten-1-yl]amino]-3,3-dimethylbutyl]benzamide

출처 및 근거

ORD 기록
ord-49359ac33fb14f00b2ddc8952766e1b6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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