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Pyridine → 4-[4-(5-tert-Butyl-thiazol-2-ylcarbamoyl)-2-nitro-phenylsulfanyl]-phenyl-carbamic acid 9H-fluoren-9-ylmethyl ester

HRID 148257
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HRID 148257 반응식
[CH2:54]([Cl:55])[Cl:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[NH2:1][c:2]1[cH:3][cH:4][c:5]([S:8][c:9]2[c:10]([N+:27](=[O:28])[O-:29])[cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[s:17][c:18]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:19][n:20]3)[cH:25][cH:26]2)[cH:6][cH:7]1.[cH:30]1[cH:31][cH:32][cH:33][c:34]2[c:42]1[CH:41]([CH2:43][O:44][C:45](=[O:46])[Cl:47])[c:40]1[c:35]-2[cH:36][cH:37][cH:38][cH:39]1.[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([S:8][c:9]2[c:10]([N+:27](=[O:28])[O-:29])[cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[s:17][c:18]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:19][n:20]3)[cH:25][cH:26]2)[cH:6][cH:7]1)[C:45]([O:44][CH2:43][CH:41]1[c:40]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)-[c:34]2[cH:33][cH:32][cH:31][cH:30][c:42]21)=[O:46]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 1049PyridineHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 343679-Fluorenylmethyl chloroformateHCID 866155524-(4-Amino-phenylsulfanyl)-N-(5-tert-butyl-thiazol-2-yl)-3-nitro-benzamide

생성물 1

HCID 86615553
4-[4-(5-tert-Butyl-thiazol-2-ylcarbamoyl)-2-nitro-phenylsulfanyl]-phenyl-carbamic acid 9H-fluoren-9-ylmethyl ester

출처 및 근거

ORD 기록
ord-1274cc5b0ddd417aa629c7cdba781adf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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