Sodium ion → HCID 67382309, compound

HRID 1562802Notes

Reaction equation

[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][c:19]2[c:20]([c:23]([S:28][CH2:29][c:30]3[n:31][n:32][c:33]([Cl:36])[cH:34][cH:35]3)[c:24]([Cl:27])[cH:25][cH:26]2)[CH2:21][CH2:22]1.[CH2:1]([C:2]([CH3:3])([CH3:4])[CH3:5])[OH:6].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[H-:7].[Na+:8].[OH2:42]>>[CH2:1]([C:2]([CH3:3])([CH3:4])[CH3:5])[O:6][c:33]1[n:32][n:31][c:30]([CH2:29][S:28][c:23]2[c:20]3[c:19]([cH:26][cH:25][c:24]2[Cl:27])[CH2:18][CH2:17][N:16]([C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:15])[CH2:22][CH2:21]3)[cH:35][cH:34]1

Participants

Reactant 6

HCID 923Sodium ion

HCID 962Water

HCID 6404Neopentyl alcohol

HCID 8028Tetrahydrofuran

HCID 166653Hydride

HCID 866296553-tert-butoxycarbonyl-7-chloro-6-(6-chloro-pyridazin-3-ylmethylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 67382309HCID 67382309, compound

Sources & evidence

ORD record: ord-868bed4bc8ec45f0abb2c4aee1050f19
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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