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Sodium Ion → 18-(4-Fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-11-(2-nitrophenyl)sulfonyl-2,15-dioxo-3,11,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

HRID 1547219
Notes
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Reaction equation

HRID 1547219 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[C:10](=[O:59])[N:11]2[CH:12]([C:13](=[O:42])[NH:14][C:15]3([C:37](=[O:38])[O:39][CH2:40][CH3:41])[CH:16]([CH:17]=[CH:18][CH2:19][CH2:20][N:21]([S:24](=[O:25])(=[O:26])[c:27]4[c:28]([N+:33](=[O:34])[O-:35])[cH:29][cH:30][cH:31][cH:32]4)[CH2:22][CH2:23]1)[CH2:36]3)[CH2:43][CH:44]([O:46][C:47](=[O:48])[N:49]1[CH2:50][c:51]3[cH:52][cH:53][cH:54][c:55]([F:58])[c:56]3[CH2:57]1)[CH2:45]2.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[Na+:61].[OH-:60].[OH2:67]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[C:10](=[O:59])[N:11]2[CH:12]([C:13](=[O:42])[NH:14][C:15]3([C:37](=[O:38])[OH:39])[CH:16]([CH:17]=[CH:18][CH2:19][CH2:20][N:21]([S:24](=[O:25])(=[O:26])[c:27]4[c:28]([N+:33](=[O:34])[O-:35])[cH:29][cH:30][cH:31][cH:32]4)[CH2:22][CH2:23]1)[CH2:36]3)[CH2:43][CH:44]([O:46][C:47](=[O:48])[N:49]1[CH2:50][c:51]3[cH:52][cH:53][cH:54][c:55]([F:58])[c:56]3[CH2:57]1)[CH2:45]2
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 178468396HCID 178468396, compound

Product 1

HCID 72437405
18-(4-Fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-11-(2-nitrophenyl)sulfonyl-2,15-dioxo-3,11,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Sources & evidence

ORD record
ord-d81ac71383724abd85e3ce11e14ac7a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes