Pyridine → 4-{4-Amino-5-[3-(3,5-dichloro-benzenesulfonylamino)-benzoyl]-pyrrolo[2,3-d]pyrimidin-7-yl}-piperidine-1-carboxylic acid tert-butyl ester

HRID 1556836

반응식

HRID 1556836 반응식
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH:23]([n:26]2[cH:27][c:28]([C:36]([c:37]3[cH:38][c:39]([NH2:43])[cH:40][cH:41][cH:42]3)=[O:44])[c:29]3[c:30]2[n:31][cH:32][n:33][c:34]3[NH2:35])[CH2:24][CH2:25]1.[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[Cl:12])[cH:5][c:6]([Cl:8])[cH:7]1.[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[NH:43][c:39]2[cH:38][c:37]([C:36]([c:28]3[cH:27][n:26]([CH:23]4[CH2:22][CH2:21][N:20]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:25][CH2:24]4)[c:30]4[c:29]3[c:34]([NH2:35])[n:33][cH:32][n:31]4)=[O:44])[cH:42][cH:41][cH:40]2)[cH:5][c:6]([Cl:8])[cH:7]1

참가 물질

4

반응물 3

HCID 1049PyridineHCID 5223883,5-Dichlorobenzenesulfonyl chlorideHCID 672197434-[4-Amino-5-(3-amino-benzoyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 672193824-{4-Amino-5-[3-(3,5-dichloro-benzenesulfonylamino)-benzoyl]-pyrrolo[2,3-d]pyrimidin-7-yl}-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-518000cc110e4fabaf114d72bd96f128
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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