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Sodium Ion → 2-Methyl-propane-2-sulfinic acid (3-{-4-[3,6-dioxo-8-phenyl-2-(2-trimethylsilanyl-ethoxymethyl)-2,6-dihydro-3H-9-oxa-1,2,3a-triaza-cyclopenta[a]naphthalen-7-yl]-phenyl}-oxetan-3-yl)-amide

HRID 933518
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HRID 933518 반응식
[CH3:31][C:32]1([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37][B:38]([c:39]2[cH:40][cH:41][c:42]([C:45]3([NH:49][S:50](=[O:51])[C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:46][O:47][CH2:48]3)[cH:43][cH:44]2)[O:56]1.[CH3:66][O:67][CH2:68][CH2:69][O:70][CH3:71].[Cl:57][CH2:58][Cl:59].[I:1][c:2]1[c:3](=[O:30])[c:4]2[cH:5][cH:6][n:7]3[c:8]([c:9]2[o:10][c:11]1-[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[n:18][n:19]([CH2:22][O:23][CH2:24][CH2:25][Si:26]([CH3:27])([CH3:28])[CH3:29])[c:20]3=[O:21].[Na+:60].[Na+:61].[O-:62][C:63](=[O:64])[O-:65]>>[c:2]1(-[c:39]2[cH:40][cH:41][c:42]([C:45]3([NH:49][S:50](=[O:51])[C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:46][O:47][CH2:48]3)[cH:43][cH:44]2)[c:3](=[O:30])[c:4]2[cH:5][cH:6][n:7]3[c:8]([c:9]2[o:10][c:11]1-[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[n:18][n:19]([CH2:22][O:23][CH2:24][CH2:25][Si:26]([CH3:27])([CH3:28])[CH3:29])[c:20]3=[O:21]
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참가 물질

7

반응물 6

HCID 923Sodium Ion2회HCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 670678002-Methyl-propane-2-sulfinic acid {3-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-phenyl]-oxetan-3-yl}-amideHCID 866710397-Iodo-8-phenyl-2-(2-trimethylsilanyl-ethoxymethyl)-2H-9-oxa-1,2,3a-triaza-cyclopenta[a]naphthalene-3,6-dione

생성물 1

HCID 866710502-Methyl-propane-2-sulfinic acid (3-{-4-[3,6-dioxo-8-phenyl-2-(2-trimethylsilanyl-ethoxymethyl)-2,6-dihydro-3H-9-oxa-1,2,3a-triaza-cyclopenta[a]naphthalen-7-yl]-phenyl}-oxetan-3-yl)-amide

출처 및 근거

ORD 기록
ord-f23e73cf213c4803b85a453cf65cd8b8
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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