Acetic Acid → 4-(3-Sulfamoyl-phenylamino)-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide

HRID 191788

반응식

HRID 191788 반응식
[CH3:1][c:2]1[c:3]([NH:27][C:28](=[O:29])[n:30]2[cH:31][cH:32][c:33]3[c:34]2[n:35][cH:36][n:37][c:38]3[Cl:39])[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12](-[n:20]3[cH:21][n:22][c:23]([CH3:25])[cH:24]3)[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)=[O:26])[cH:6][cH:7]1.[CH3:51][C:52](=[O:53])[OH:54].[NH2:40][c:41]1[cH:42][c:43]([S:47](=[O:48])(=[O:49])[NH2:50])[cH:44][cH:45][cH:46]1>>[CH3:1][c:2]1[c:3]([NH:27][C:28](=[O:29])[n:30]2[cH:31][cH:32][c:33]3[c:34]2[n:35][cH:36][n:37][c:38]3[NH:40][c:41]2[cH:42][c:43]([S:47](=[O:48])(=[O:49])[NH2:50])[cH:44][cH:45][cH:46]2)[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12](-[n:20]3[cH:21][n:22][c:23]([CH3:25])[cH:24]3)[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)=[O:26])[cH:6][cH:7]1

참가 물질

4

반응물 3

HCID 176Acetic AcidHCID 7377Benzenesulfonamide, 3-amino-HCID 596739784-Chloro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide

생성물 1

HCID 117872954-(3-Sulfamoyl-phenylamino)-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide

출처 및 근거

ORD 기록
ord-e46e9ca2f0494f9489deae7b98300024
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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