1,1-Dichloroethane → 3-{3-(4-tert-butylphenyl)-3-[4-(2H-tetrazol-5-ylcarbamoyl)benzyl]ureido}benzoic acid methyl ester

HRID 670061

반응식

HRID 670061 반응식
[C:14]([CH3:15])([CH3:16])([CH3:17])[c:18]1[cH:19][cH:20][c:21]([NH:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[NH:32][c:33]3[n:34][n:35][nH:36][n:37]3)[cH:38][cH:39]2)[cH:22][cH:23]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([N:10]=[C:11]=[O:12])[cH:7][cH:8][cH:9]1)=[O:13].[Cl:40][CH:41]([Cl:42])[CH3:43]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([NH:10][C:11](=[O:12])[N:24]([c:21]2[cH:20][cH:19][c:18]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:23][cH:22]2)[CH2:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[NH:32][c:33]3[n:34][n:35][nH:36][n:37]3)[cH:38][cH:39]2)[cH:7][cH:8][cH:9]1)=[O:13]

참가 물질

4

반응물 3

HCID 63651,1-DichloroethaneHCID 2733366Methyl 3-isocyanatobenzoateHCID 225017634-[(4-tert-butylphenylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide

생성물 1

HCID 538709223-{3-(4-tert-butylphenyl)-3-[4-(2H-tetrazol-5-ylcarbamoyl)benzyl]ureido}benzoic acid methyl ester

출처 및 근거

ORD 기록
ord-4a306ee6dd6145cc836891f4321165bd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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