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Water → HCID 178421306, compound

HRID 2337570
Notes
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Reaction equation

HRID 2337570 reaction equation
[IH:1].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[OH2:36].[OH:13][CH:14]1[CH2:15][CH:16]2[CH2:17][CH2:18][CH:19]3[C:20]4([OH:35])[CH2:21][CH2:22][CH:23]([CH:33]=[O:34])[C:24]4([CH3:25])[CH2:26][CH2:27][CH:28]3[C:29]2([CH3:32])[CH2:30][CH2:31]1.[c:2]1([NH:8][C:9]([NH:10][NH2:11])=[NH:12])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([NH:8][C:9]([NH:10][N:11]=[CH:33][CH:23]2[CH2:22][CH2:21][C:20]3([OH:35])[CH:19]4[CH2:18][CH2:17][CH:16]5[CH2:15][CH:14]([OH:13])[CH2:31][CH2:30][C:29]5([CH3:32])[CH:28]4[CH2:27][CH2:26][C:24]32[CH3:25])=[NH:12])[cH:3][cH:4][cH:5][cH:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 962WaterHCID 24841Hydrogen iodideHCID 312751,4-DioxaneHCID 130644253,14-Dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carbaldehydeHCID 178513135HCID 178513135, compound

Product 1

HCID 178421306
HCID 178421306, compound

Sources & evidence

ORD record
ord-9f836f7e2ce34de7abdcbd7d53593611
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes