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Sodium Ion → t-Butyl 2-(4-amino-2-(4-methanesulfonyl-phenoxy)-5-nitro-phenyl)-pyrrole-1-carboxylate

HRID 2312548
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HRID 2312548 반응식
[Br:23][c:24]1[cH:25][c:26]([N+:42](=[O:43])[O-:44])[c:27]([NH2:41])[cH:28][c:29]1[O:30][c:31]1[cH:32][cH:33][c:34]([S:37](=[O:38])(=[O:39])[CH3:40])[cH:35][cH:36]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([B:13]([OH:14])[OH:15])[cH:10][cH:11][cH:12]1.[CH2:45]([CH2:46][O:47][CH3:48])[O:49][CH3:50].[Na+:16].[Na+:17].[O-:18][C:19](=[O:20])[O-:21].[OH2:22]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:24]2[cH:25][c:26]([N+:42](=[O:43])[O-:44])[c:27]([NH2:41])[cH:28][c:29]2[O:30][c:31]2[cH:32][cH:33][c:34]([S:37](=[O:38])(=[O:39])[CH3:40])[cH:35][cH:36]2)[cH:10][cH:11][cH:12]1
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반응물 6

HCID 923Sodium Ion2회HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27343211-(tert-Butoxycarbonyl)-2-pyrroleboronic AcidHCID 231452284-Bromo-5-(4-methanesulfonyl-phenoxy)-2-nitro-phenylamine

생성물 1

HCID 23145143
t-Butyl 2-(4-amino-2-(4-methanesulfonyl-phenoxy)-5-nitro-phenyl)-pyrrole-1-carboxylate

출처 및 근거

ORD 기록
ord-68db41d06a284444bd43634ed0fe488e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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